28526 lines
1.9 MiB
28526 lines
1.9 MiB
Entering Gaussian System, Link 0=g09
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Input=N2H4.inp
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Output=N2H4.out
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Initial command:
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/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42176/Gau-48800.inp" -scrdir="/mnt/beegfs/tmpdir/42176/"
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Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 48801.
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Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
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Gaussian, Inc. All Rights Reserved.
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This is part of the Gaussian(R) 09 program. It is based on
|
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the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
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the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
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the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
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the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
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the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
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the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
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the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
|
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University), and the Gaussian 82(TM) system (copyright 1983,
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Carnegie Mellon University). Gaussian is a federally registered
|
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trademark of Gaussian, Inc.
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|
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This software contains proprietary and confidential information,
|
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including trade secrets, belonging to Gaussian, Inc.
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|
|
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This software is provided under written license and may be
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used, copied, transmitted, or stored only in accord with that
|
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written license.
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|
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The following legend is applicable only to US Government
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contracts under FAR:
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RESTRICTED RIGHTS LEGEND
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Use, reproduction and disclosure by the US Government is
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subject to restrictions as set forth in subparagraphs (a)
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and (c) of the Commercial Computer Software - Restricted
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Rights clause in FAR 52.227-19.
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Gaussian, Inc.
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340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
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---------------------------------------------------------------
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Warning -- This program may not be used in any manner that
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competes with the business of Gaussian, Inc. or will provide
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assistance to any competitor of Gaussian, Inc. The licensee
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of this program is prohibited from giving any competitor of
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Gaussian, Inc. access to this program. By using this program,
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the user acknowledges that Gaussian, Inc. is engaged in the
|
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business of creating and licensing software in the field of
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computational chemistry and represents and warrants to the
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licensee that it is not a competitor of Gaussian, Inc. and that
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it will not use this program in any manner prohibited above.
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---------------------------------------------------------------
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Cite this work as:
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Gaussian 09, Revision D.01,
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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
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M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
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G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
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A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
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M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
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Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
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J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
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K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
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K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
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M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
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V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
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O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
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R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
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P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
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O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
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and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
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******************************************
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Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
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30-Mar-2019
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******************************************
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-------------------------------------
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#p ROCCSD(T) cc-pVQZ pop=full gfprint
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-------------------------------------
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1/38=1/1;
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2/12=2,17=6,18=5,40=1/2;
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3/5=16,6=2,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
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4//1;
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5/5=2,38=5/2;
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8/5=-1,6=4,9=120000,10=1/1,4;
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9/5=7,14=2/13;
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6/7=3/1;
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99/5=1,9=1/99;
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Leave Link 1 at Sat Mar 30 13:08:08 2019, MaxMem= 0 cpu: 0.0
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
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--
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G2
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--
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Symbolic Z-matrix:
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Charge = 0 Multiplicity = 1
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N
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N 1 AA
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H 1 AH4 2 H4AA
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H 1 AH5 2 H5AA 3 H4AH5 1
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H 2 AH4 1 H4AA 3 H4AAH7 0
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H 2 AH5 1 H5AA 5 H4AH5 1
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Variables:
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AA 1.43688
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AH4 1.01893
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AH5 1.01495
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H4AA 111.61362
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H5AA 106.79854
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H4AH5 106.6473
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H4AAH7 27.66512
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NAtoms= 6 NQM= 6 NQMF= 0 NMMI= 0 NMMIF= 0
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NMic= 0 NMicF= 0.
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Isotopes and Nuclear Properties:
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(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
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in nuclear magnetons)
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Atom 1 2 3 4 5 6
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IAtWgt= 14 14 1 1 1 1
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AtmWgt= 14.0030740 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250
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NucSpn= 2 2 1 1 1 1
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AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
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NQMom= 2.0440000 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000
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NMagM= 0.4037610 0.4037610 2.7928460 2.7928460 2.7928460 2.7928460
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AtZNuc= 7.0000000 7.0000000 1.0000000 1.0000000 1.0000000 1.0000000
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Leave Link 101 at Sat Mar 30 13:08:08 2019, MaxMem= 33554432 cpu: 0.1
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
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Input orientation:
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---------------------------------------------------------------------
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Center Atomic Atomic Coordinates (Angstroms)
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Number Number Type X Y Z
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---------------------------------------------------------------------
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1 7 0 0.000000 0.000000 0.000000
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2 7 0 0.000000 0.000000 1.436877
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3 1 0 0.947289 0.000000 -0.375319
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4 1 0 -0.428970 0.871819 -0.293328
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5 1 0 0.838991 0.439829 1.812196
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6 1 0 0.024859 -0.971321 1.730205
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---------------------------------------------------------------------
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Distance matrix (angstroms):
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1 2 3 4 5
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1 N 0.000000
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2 N 1.436877 0.000000
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3 H 1.018931 2.044849 0.000000
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4 H 1.014950 1.984362 1.631220 0.000000
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5 H 2.044849 1.018931 2.233920 2.495510 0.000000
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6 H 1.984362 1.014950 2.495510 2.774493 1.631220
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6
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6 H 0.000000
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Stoichiometry H4N2
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Framework group C2[X(H4N2)]
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Deg. of freedom 7
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Full point group C2 NOp 2
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Largest Abelian subgroup C2 NOp 2
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Largest concise Abelian subgroup C2 NOp 2
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Standard orientation:
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---------------------------------------------------------------------
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Center Atomic Atomic Coordinates (Angstroms)
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Number Number Type X Y Z
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---------------------------------------------------------------------
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1 7 0 0.000000 0.718439 -0.079081
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2 7 0 0.000000 -0.718439 -0.079081
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3 1 0 0.226483 1.093757 0.840735
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4 1 0 -0.949095 1.011767 -0.287171
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5 1 0 -0.226483 -1.093757 0.840735
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6 1 0 0.949095 -1.011767 -0.287171
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---------------------------------------------------------------------
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Rotational constants (GHZ): 143.2866596 24.3216295 24.2396954
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Leave Link 202 at Sat Mar 30 13:08:08 2019, MaxMem= 33554432 cpu: 0.0
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
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Standard basis: CC-pVQZ (5D, 7F)
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Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
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Ernie: 6 primitive shells out of 114 were deleted.
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AO basis set (Overlap normalization):
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Atom N1 Shell 1 S 8 bf 1 - 1 0.000000000000 1.357652065013 -0.149440791602
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0.4584000000D+05 0.1534988599D-03
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0.6868000000D+04 0.1179826628D-02
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0.1563000000D+04 0.6207746267D-02
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0.4424000000D+03 0.2538092332D-01
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0.1443000000D+03 0.8650277680D-01
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0.5218000000D+02 0.2266189482D+00
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0.2034000000D+02 0.4355021992D+00
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0.8381000000D+01 0.3465592023D+00
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Atom N1 Shell 2 S 7 bf 2 - 2 0.000000000000 1.357652065013 -0.149440791602
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0.6868000000D+04 -0.1039792478D-04
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0.4424000000D+03 -0.4736517491D-03
|
|
0.1443000000D+03 -0.2102474955D-02
|
|
0.5218000000D+02 -0.2306147530D-01
|
|
0.2034000000D+02 -0.9676852612D-01
|
|
0.8381000000D+01 -0.4376637933D+00
|
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0.3529000000D+01 -0.5056218861D+00
|
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Atom N1 Shell 3 S 1 bf 3 - 3 0.000000000000 1.357652065013 -0.149440791602
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0.1054000000D+01 0.1000000000D+01
|
|
Atom N1 Shell 4 S 1 bf 4 - 4 0.000000000000 1.357652065013 -0.149440791602
|
|
0.4118000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 5 S 1 bf 5 - 5 0.000000000000 1.357652065013 -0.149440791602
|
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0.1552000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 6 P 3 bf 6 - 8 0.000000000000 1.357652065013 -0.149440791602
|
|
0.4933000000D+02 0.3112609737D-01
|
|
0.1137000000D+02 0.2135566435D+00
|
|
0.3435000000D+01 0.8383625589D+00
|
|
Atom N1 Shell 7 P 1 bf 9 - 11 0.000000000000 1.357652065013 -0.149440791602
|
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0.1182000000D+01 0.1000000000D+01
|
|
Atom N1 Shell 8 P 1 bf 12 - 14 0.000000000000 1.357652065013 -0.149440791602
|
|
0.4173000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 9 P 1 bf 15 - 17 0.000000000000 1.357652065013 -0.149440791602
|
|
0.1428000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 10 D 1 bf 18 - 22 0.000000000000 1.357652065013 -0.149440791602
|
|
0.2837000000D+01 0.1000000000D+01
|
|
Atom N1 Shell 11 D 1 bf 23 - 27 0.000000000000 1.357652065013 -0.149440791602
|
|
0.9680000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 12 D 1 bf 28 - 32 0.000000000000 1.357652065013 -0.149440791602
|
|
0.3350000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 13 F 1 bf 33 - 39 0.000000000000 1.357652065013 -0.149440791602
|
|
0.2027000000D+01 0.1000000000D+01
|
|
Atom N1 Shell 14 F 1 bf 40 - 46 0.000000000000 1.357652065013 -0.149440791602
|
|
0.6850000000D+00 0.1000000000D+01
|
|
Atom N1 Shell 15 G 1 bf 47 - 55 0.000000000000 1.357652065013 -0.149440791602
|
|
0.1427000000D+01 0.1000000000D+01
|
|
Atom N2 Shell 16 S 8 bf 56 - 56 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.4584000000D+05 0.1534988599D-03
|
|
0.6868000000D+04 0.1179826628D-02
|
|
0.1563000000D+04 0.6207746267D-02
|
|
0.4424000000D+03 0.2538092332D-01
|
|
0.1443000000D+03 0.8650277680D-01
|
|
0.5218000000D+02 0.2266189482D+00
|
|
0.2034000000D+02 0.4355021992D+00
|
|
0.8381000000D+01 0.3465592023D+00
|
|
Atom N2 Shell 17 S 7 bf 57 - 57 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.6868000000D+04 -0.1039792478D-04
|
|
0.4424000000D+03 -0.4736517491D-03
|
|
0.1443000000D+03 -0.2102474955D-02
|
|
0.5218000000D+02 -0.2306147530D-01
|
|
0.2034000000D+02 -0.9676852612D-01
|
|
0.8381000000D+01 -0.4376637933D+00
|
|
0.3529000000D+01 -0.5056218861D+00
|
|
Atom N2 Shell 18 S 1 bf 58 - 58 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.1054000000D+01 0.1000000000D+01
|
|
Atom N2 Shell 19 S 1 bf 59 - 59 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.4118000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 20 S 1 bf 60 - 60 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.1552000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 21 P 3 bf 61 - 63 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.4933000000D+02 0.3112609737D-01
|
|
0.1137000000D+02 0.2135566435D+00
|
|
0.3435000000D+01 0.8383625589D+00
|
|
Atom N2 Shell 22 P 1 bf 64 - 66 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.1182000000D+01 0.1000000000D+01
|
|
Atom N2 Shell 23 P 1 bf 67 - 69 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.4173000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 24 P 1 bf 70 - 72 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.1428000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 25 D 1 bf 73 - 77 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.2837000000D+01 0.1000000000D+01
|
|
Atom N2 Shell 26 D 1 bf 78 - 82 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.9680000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 27 D 1 bf 83 - 87 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.3350000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 28 F 1 bf 88 - 94 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.2027000000D+01 0.1000000000D+01
|
|
Atom N2 Shell 29 F 1 bf 95 - 101 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.6850000000D+00 0.1000000000D+01
|
|
Atom N2 Shell 30 G 1 bf 102 - 110 0.000000000000 -1.357652065013 -0.149440791602
|
|
0.1427000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 31 S 3 bf 111 - 111 0.427990445146 2.066901491959 1.588759742658
|
|
0.8264000000D+02 0.2295075779D-01
|
|
0.1241000000D+02 0.1755401181D+00
|
|
0.2824000000D+01 0.8647035510D+00
|
|
Atom H3 Shell 32 S 1 bf 112 - 112 0.427990445146 2.066901491959 1.588759742658
|
|
0.7977000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 33 S 1 bf 113 - 113 0.427990445146 2.066901491959 1.588759742658
|
|
0.2581000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 34 S 1 bf 114 - 114 0.427990445146 2.066901491959 1.588759742658
|
|
0.8989000000D-01 0.1000000000D+01
|
|
Atom H3 Shell 35 P 1 bf 115 - 117 0.427990445146 2.066901491959 1.588759742658
|
|
0.2292000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 36 P 1 bf 118 - 120 0.427990445146 2.066901491959 1.588759742658
|
|
0.8380000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 37 P 1 bf 121 - 123 0.427990445146 2.066901491959 1.588759742658
|
|
0.2920000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 38 D 1 bf 124 - 128 0.427990445146 2.066901491959 1.588759742658
|
|
0.2062000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 39 D 1 bf 129 - 133 0.427990445146 2.066901491959 1.588759742658
|
|
0.6620000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 40 F 1 bf 134 - 140 0.427990445146 2.066901491959 1.588759742658
|
|
0.1397000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 41 S 3 bf 141 - 141 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.8264000000D+02 0.2295075779D-01
|
|
0.1241000000D+02 0.1755401181D+00
|
|
0.2824000000D+01 0.8647035510D+00
|
|
Atom H4 Shell 42 S 1 bf 142 - 142 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.7977000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 43 S 1 bf 143 - 143 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.2581000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 44 S 1 bf 144 - 144 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.8989000000D-01 0.1000000000D+01
|
|
Atom H4 Shell 45 P 1 bf 145 - 147 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.2292000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 46 P 1 bf 148 - 150 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.8380000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 47 P 1 bf 151 - 153 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.2920000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 48 D 1 bf 154 - 158 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.2062000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 49 D 1 bf 159 - 163 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.6620000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 50 F 1 bf 164 - 170 -1.793529597451 1.911962076662 -0.542674201445
|
|
0.1397000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 51 S 3 bf 171 - 171 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.8264000000D+02 0.2295075779D-01
|
|
0.1241000000D+02 0.1755401181D+00
|
|
0.2824000000D+01 0.8647035510D+00
|
|
Atom H5 Shell 52 S 1 bf 172 - 172 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.7977000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 53 S 1 bf 173 - 173 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.2581000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 54 S 1 bf 174 - 174 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.8989000000D-01 0.1000000000D+01
|
|
Atom H5 Shell 55 P 1 bf 175 - 177 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.2292000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 56 P 1 bf 178 - 180 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.8380000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 57 P 1 bf 181 - 183 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.2920000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 58 D 1 bf 184 - 188 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.2062000000D+01 0.1000000000D+01
|
|
Atom H5 Shell 59 D 1 bf 189 - 193 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.6620000000D+00 0.1000000000D+01
|
|
Atom H5 Shell 60 F 1 bf 194 - 200 -0.427990445146 -2.066901491959 1.588759742658
|
|
0.1397000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 61 S 3 bf 201 - 201 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.8264000000D+02 0.2295075779D-01
|
|
0.1241000000D+02 0.1755401181D+00
|
|
0.2824000000D+01 0.8647035510D+00
|
|
Atom H6 Shell 62 S 1 bf 202 - 202 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.7977000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 63 S 1 bf 203 - 203 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.2581000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 64 S 1 bf 204 - 204 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.8989000000D-01 0.1000000000D+01
|
|
Atom H6 Shell 65 P 1 bf 205 - 207 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.2292000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 66 P 1 bf 208 - 210 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.8380000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 67 P 1 bf 211 - 213 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.2920000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 68 D 1 bf 214 - 218 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.2062000000D+01 0.1000000000D+01
|
|
Atom H6 Shell 69 D 1 bf 219 - 223 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.6620000000D+00 0.1000000000D+01
|
|
Atom H6 Shell 70 F 1 bf 224 - 230 1.793529597451 -1.911962076662 -0.542674201445
|
|
0.1397000000D+01 0.1000000000D+01
|
|
There are 140 symmetry adapted cartesian basis functions of A symmetry.
|
|
There are 140 symmetry adapted cartesian basis functions of B symmetry.
|
|
There are 115 symmetry adapted basis functions of A symmetry.
|
|
There are 115 symmetry adapted basis functions of B symmetry.
|
|
230 basis functions, 326 primitive gaussians, 280 cartesian basis functions
|
|
9 alpha electrons 9 beta electrons
|
|
nuclear repulsion energy 41.4730057452 Hartrees.
|
|
IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000
|
|
ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000
|
|
IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4
|
|
NAtoms= 6 NActive= 6 NUniq= 3 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F
|
|
Integral buffers will be 131072 words long.
|
|
Raffenetti 2 integral format.
|
|
Two-electron integral symmetry is turned on.
|
|
Leave Link 301 at Sat Mar 30 13:08:08 2019, MaxMem= 33554432 cpu: 0.0
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
|
|
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
|
|
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
|
|
One-electron integrals computed using PRISM.
|
|
One-electron integral symmetry used in STVInt
|
|
NBasis= 230 RedAO= T EigKep= 1.37D-04 NBF= 115 115
|
|
NBsUse= 230 1.00D-06 EigRej= -1.00D+00 NBFU= 115 115
|
|
Leave Link 302 at Sat Mar 30 13:08:08 2019, MaxMem= 33554432 cpu: 0.2
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
|
|
DipDrv: MaxL=1.
|
|
Leave Link 303 at Sat Mar 30 13:08:08 2019, MaxMem= 33554432 cpu: 0.0
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
|
|
ExpMin= 8.99D-02 ExpMax= 4.58D+04 ExpMxC= 4.42D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00
|
|
Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess.
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14
|
|
ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
|
|
wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
Harris En= -111.411347685165
|
|
JPrj=0 DoOrth=F DoCkMO=F.
|
|
Initial guess orbital symmetries:
|
|
Occupied (A) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
Virtual (A) (B) (A) (B) (B) (A) (A) (B) (B) (A) (B) (A)
|
|
(A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
|
|
(A) (A) (B) (B) (A) (A) (A) (B) (A) (B) (B) (B)
|
|
(A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
|
|
(A) (B) (A) (A) (B) (A) (B) (B) (A) (B) (A) (A)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (A) (A) (B) (B)
|
|
(A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (A) (B) (A) (B)
|
|
(A) (A) (A) (B) (B) (A) (B) (B) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B)
|
|
(A) (B) (A) (A) (B) (B) (A) (B) (A) (B) (A) (B)
|
|
(A) (A) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A)
|
|
(A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (A) (B)
|
|
(B) (A) (B) (B) (A) (A) (B) (A) (A) (B) (B) (A)
|
|
(B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (A) (B)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (A) (B) (A) (B)
|
|
(B) (A) (A) (B) (A) (B) (B) (A) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B)
|
|
The electronic state of the initial guess is 1-A.
|
|
Leave Link 401 at Sat Mar 30 13:08:09 2019, MaxMem= 33554432 cpu: 0.6
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
|
|
Restricted open shell SCF:
|
|
Using DIIS extrapolation, IDIIS= 1040.
|
|
Integral symmetry usage will be decided dynamically.
|
|
IVT= 257726 IEndB= 257726 NGot= 33554432 MDV= 33392027
|
|
LenX= 33392027 LenY= 33313186
|
|
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
|
|
Requested convergence on MAX density matrix=1.00D-06.
|
|
Requested convergence on energy=1.00D-06.
|
|
No special actions if energy rises.
|
|
Fock matrices will be formed incrementally for 20 cycles.
|
|
Integral accuracy reduced to 1.0D-05 until final iterations.
|
|
|
|
Cycle 1 Pass 0 IDiag 1:
|
|
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
|
|
IRaf= 990000000 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
|
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
E= -111.117550639922
|
|
DIIS: error= 3.59D-02 at cycle 1 NSaved= 1.
|
|
NSaved= 1 IEnMin= 1 EnMin= -111.117550639922 IErMin= 1 ErrMin= 3.59D-02
|
|
ErrMax= 3.59D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-01 BMatP= 2.86D-01
|
|
IDIUse=3 WtCom= 6.41D-01 WtEn= 3.59D-01
|
|
Coeff-Com: 0.100D+01
|
|
Coeff-En: 0.100D+01
|
|
Coeff: 0.100D+01
|
|
Gap= 0.461 Goal= None Shift= 0.000
|
|
GapD= 0.461 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
|
|
RMSDP=1.46D-03 MaxDP=3.34D-02 OVMax= 1.01D-01
|
|
|
|
Cycle 2 Pass 0 IDiag 1:
|
|
RMSU= 1.45D-03 CP: 9.81D-01
|
|
E= -111.205926759942 Delta-E= -0.088376120020 Rises=F Damp=F
|
|
DIIS: error= 2.19D-02 at cycle 2 NSaved= 2.
|
|
NSaved= 2 IEnMin= 2 EnMin= -111.205926759942 IErMin= 2 ErrMin= 2.19D-02
|
|
ErrMax= 2.19D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-02 BMatP= 2.86D-01
|
|
IDIUse=3 WtCom= 7.81D-01 WtEn= 2.19D-01
|
|
Coeff-Com: 0.189D+00 0.811D+00
|
|
Coeff-En: 0.000D+00 0.100D+01
|
|
Coeff: 0.147D+00 0.853D+00
|
|
Gap= 0.557 Goal= None Shift= 0.000
|
|
RMSDP=7.95D-04 MaxDP=1.86D-02 DE=-8.84D-02 OVMax= 5.18D-02
|
|
|
|
Cycle 3 Pass 0 IDiag 1:
|
|
RMSU= 3.08D-04 CP: 1.00D+00 5.02D-01
|
|
E= -111.229664080351 Delta-E= -0.023737320409 Rises=F Damp=F
|
|
DIIS: error= 6.65D-03 at cycle 3 NSaved= 3.
|
|
NSaved= 3 IEnMin= 3 EnMin= -111.229664080351 IErMin= 3 ErrMin= 6.65D-03
|
|
ErrMax= 6.65D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-03 BMatP= 3.56D-02
|
|
IDIUse=3 WtCom= 9.33D-01 WtEn= 6.65D-02
|
|
Coeff-Com: -0.235D-01 0.226D+00 0.798D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.220D-01 0.211D+00 0.811D+00
|
|
Gap= 0.524 Goal= None Shift= 0.000
|
|
RMSDP=1.37D-04 MaxDP=3.90D-03 DE=-2.37D-02 OVMax= 1.37D-02
|
|
|
|
Cycle 4 Pass 0 IDiag 1:
|
|
RMSU= 5.69D-05 CP: 9.99D-01 5.86D-01 9.39D-01
|
|
E= -111.232793925690 Delta-E= -0.003129845339 Rises=F Damp=F
|
|
DIIS: error= 7.02D-04 at cycle 4 NSaved= 4.
|
|
NSaved= 4 IEnMin= 4 EnMin= -111.232793925690 IErMin= 4 ErrMin= 7.02D-04
|
|
ErrMax= 7.02D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-05 BMatP= 4.02D-03
|
|
IDIUse=3 WtCom= 9.93D-01 WtEn= 7.02D-03
|
|
Coeff-Com: -0.104D-02-0.216D-01-0.137D-01 0.104D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.103D-02-0.214D-01-0.136D-01 0.104D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=4.63D-05 MaxDP=1.36D-03 DE=-3.13D-03 OVMax= 1.82D-03
|
|
|
|
Cycle 5 Pass 0 IDiag 1:
|
|
RMSU= 1.18D-05 CP: 1.00D+00 5.64D-01 1.00D+00 1.39D+00
|
|
E= -111.232831256054 Delta-E= -0.000037330364 Rises=F Damp=F
|
|
DIIS: error= 1.62D-04 at cycle 5 NSaved= 5.
|
|
NSaved= 5 IEnMin= 5 EnMin= -111.232831256054 IErMin= 5 ErrMin= 1.62D-04
|
|
ErrMax= 1.62D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-06 BMatP= 2.45D-05
|
|
IDIUse=3 WtCom= 9.98D-01 WtEn= 1.62D-03
|
|
Coeff-Com: 0.168D-02-0.120D-01-0.524D-01-0.207D+00 0.127D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: 0.168D-02-0.120D-01-0.523D-01-0.206D+00 0.127D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=2.40D-05 MaxDP=7.62D-04 DE=-3.73D-05 OVMax= 9.61D-04
|
|
|
|
Cycle 6 Pass 0 IDiag 1:
|
|
RMSU= 2.80D-06 CP: 1.00D+00 5.53D-01 1.03D+00 1.62D+00 1.54D+00
|
|
E= -111.232835916604 Delta-E= -0.000004660549 Rises=F Damp=F
|
|
DIIS: error= 1.46D-05 at cycle 6 NSaved= 6.
|
|
NSaved= 6 IEnMin= 6 EnMin= -111.232835916604 IErMin= 6 ErrMin= 1.46D-05
|
|
ErrMax= 1.46D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.47D-08 BMatP= 1.82D-06
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.293D-03 0.287D-02 0.113D-01 0.116D-01-0.276D+00 0.125D+01
|
|
Coeff: -0.293D-03 0.287D-02 0.113D-01 0.116D-01-0.276D+00 0.125D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=5.43D-06 MaxDP=1.86D-04 DE=-4.66D-06 OVMax= 2.17D-04
|
|
|
|
Initial convergence to 1.0D-05 achieved. Increase integral accuracy.
|
|
Cycle 7 Pass 1 IDiag 1:
|
|
E= -111.232836045666 Delta-E= -0.000000129063 Rises=F Damp=F
|
|
DIIS: error= 4.91D-06 at cycle 1 NSaved= 1.
|
|
NSaved= 1 IEnMin= 1 EnMin= -111.232836045666 IErMin= 1 ErrMin= 4.91D-06
|
|
ErrMax= 4.91D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-09 BMatP= 2.06D-09
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.100D+01
|
|
Coeff: 0.100D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=5.43D-06 MaxDP=1.86D-04 DE=-1.29D-07 OVMax= 3.13D-05
|
|
|
|
Cycle 8 Pass 1 IDiag 1:
|
|
RMSU= 8.26D-07 CP: 1.00D+00
|
|
E= -111.232836050214 Delta-E= -0.000000004548 Rises=F Damp=F
|
|
DIIS: error= 2.05D-06 at cycle 2 NSaved= 2.
|
|
NSaved= 2 IEnMin= 2 EnMin= -111.232836050214 IErMin= 2 ErrMin= 2.05D-06
|
|
ErrMax= 2.05D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-10 BMatP= 2.06D-09
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.168D+00 0.117D+01
|
|
Coeff: -0.168D+00 0.117D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=3.66D-07 MaxDP=1.30D-05 DE=-4.55D-09 OVMax= 1.77D-05
|
|
|
|
Cycle 9 Pass 1 IDiag 1:
|
|
RMSU= 1.14D-07 CP: 1.00D+00 1.42D+00
|
|
E= -111.232836051149 Delta-E= -0.000000000935 Rises=F Damp=F
|
|
DIIS: error= 9.30D-07 at cycle 3 NSaved= 3.
|
|
NSaved= 3 IEnMin= 3 EnMin= -111.232836051149 IErMin= 3 ErrMin= 9.30D-07
|
|
ErrMax= 9.30D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-11 BMatP= 3.24D-10
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.145D+00 0.138D+00 0.101D+01
|
|
Coeff: -0.145D+00 0.138D+00 0.101D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=1.30D-07 MaxDP=4.53D-06 DE=-9.35D-10 OVMax= 7.98D-06
|
|
|
|
Cycle 10 Pass 1 IDiag 1:
|
|
RMSU= 2.44D-08 CP: 1.00D+00 1.57D+00 1.35D+00
|
|
E= -111.232836051303 Delta-E= -0.000000000154 Rises=F Damp=F
|
|
DIIS: error= 2.66D-07 at cycle 4 NSaved= 4.
|
|
NSaved= 4 IEnMin= 4 EnMin= -111.232836051303 IErMin= 4 ErrMin= 2.66D-07
|
|
ErrMax= 2.66D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-12 BMatP= 5.75D-11
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.139D-01-0.135D+00 0.952D-01 0.103D+01
|
|
Coeff: 0.139D-01-0.135D+00 0.952D-01 0.103D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=3.47D-08 MaxDP=1.04D-06 DE=-1.54D-10 OVMax= 2.56D-06
|
|
|
|
Cycle 11 Pass 1 IDiag 1:
|
|
RMSU= 6.77D-09 CP: 1.00D+00 1.60D+00 1.50D+00 1.21D+00
|
|
E= -111.232836051313 Delta-E= -0.000000000010 Rises=F Damp=F
|
|
DIIS: error= 5.93D-08 at cycle 5 NSaved= 5.
|
|
NSaved= 5 IEnMin= 5 EnMin= -111.232836051313 IErMin= 5 ErrMin= 5.93D-08
|
|
ErrMax= 5.93D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-13 BMatP= 5.19D-12
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.744D-02 0.111D-01-0.708D-01-0.213D+00 0.126D+01
|
|
Coeff: 0.744D-02 0.111D-01-0.708D-01-0.213D+00 0.126D+01
|
|
Gap= 0.526 Goal= None Shift= 0.000
|
|
RMSDP=5.12D-09 MaxDP=1.98D-07 DE=-1.05D-11 OVMax= 6.79D-07
|
|
|
|
SCF Done: E(ROHF) = -111.232836051 A.U. after 11 cycles
|
|
NFock= 11 Conv=0.51D-08 -V/T= 2.0015
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
<L.S>= 0.000000000000E+00
|
|
KE= 1.110671082909D+02 PE=-3.441533548433D+02 EE= 8.038040475590D+01
|
|
Annihilation of the first spin contaminant:
|
|
S**2 before annihilation 0.0000, after 0.0000
|
|
Leave Link 502 at Sat Mar 30 13:09:55 2019, MaxMem= 33554432 cpu: 105.6
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
|
|
Windowed orbitals will be sorted by symmetry type.
|
|
GenMOA: NOpAll= 2 NOp2=2 NOpUse= 2 JSym2X=1
|
|
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
|
|
IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
|
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
ExpMin= 8.99D-02 ExpMax= 4.58D+04 ExpMxC= 4.42D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14
|
|
ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
Largest valence mixing into a core orbital is 1.68D-04
|
|
Largest core mixing into a valence orbital is 3.06D-05
|
|
Largest valence mixing into a core orbital is 1.68D-04
|
|
Largest core mixing into a valence orbital is 3.06D-05
|
|
Range of M.O.s used for correlation: 3 230
|
|
NBasis= 230 NAE= 9 NBE= 9 NFC= 2 NFV= 0
|
|
NROrb= 228 NOA= 7 NOB= 7 NVA= 221 NVB= 221
|
|
|
|
**** Warning!!: The largest alpha MO coefficient is 0.14161096D+02
|
|
|
|
|
|
**** Warning!!: The largest beta MO coefficient is 0.14161096D+02
|
|
|
|
Singles contribution to E2= -0.2336973107D-13
|
|
Leave Link 801 at Sat Mar 30 13:10:06 2019, MaxMem= 33554432 cpu: 11.1
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
|
|
Open-shell transformation, MDV= 33554432 ITran=4 ISComp=2.
|
|
Semi-Direct transformation.
|
|
ModeAB= 4 MOrb= 7 LenV= 31893559
|
|
LASXX= 20272233 LTotXX= 20272233 LenRXX= 40830879
|
|
LTotAB= 20558646 MaxLAS= 32844084 LenRXY= 0
|
|
NonZer= 61103112 LenScr= 92995584 LnRSAI= 32844084
|
|
LnScr1= 50462720 LExtra= 0 Total= 217133267
|
|
MaxDsk= -1 SrtSym= T ITran= 4
|
|
DoSDTr: NPSUse= 1
|
|
JobTyp=1 Pass 1: I= 1 to 7.
|
|
Complete sort for first half transformation.
|
|
First half transformation complete.
|
|
Complete sort for second half transformation.
|
|
Second half transformation complete.
|
|
ModeAB= 4 MOrb= 7 LenV= 31893559
|
|
LASXX= 20272233 LTotXX= 20272233 LenRXX= 39590562
|
|
LTotAB= 19318329 MaxLAS= 32844084 LenRXY= 0
|
|
NonZer= 59862795 LenScr= 91095040 LnRSAI= 32844084
|
|
LnScr1= 50462720 LExtra= 0 Total= 213992406
|
|
MaxDsk= -1 SrtSym= T ITran= 4
|
|
DoSDTr: NPSUse= 1
|
|
JobTyp=2 Pass 1: I= 1 to 7.
|
|
Complete sort for first half transformation.
|
|
First half transformation complete.
|
|
Complete sort for second half transformation.
|
|
Second half transformation complete.
|
|
Spin components of T(2) and E(2):
|
|
alpha-alpha T2 = 0.1533225284D-01 E2= -0.5352326700D-01
|
|
alpha-beta T2 = 0.9466466670D-01 E2= -0.3643263011D+00
|
|
beta-beta T2 = 0.1533225284D-01 E2= -0.5352326700D-01
|
|
ANorm= 0.1060815334D+01
|
|
E2 = -0.4713728351D+00 EUMP2 = -0.11170420888640D+03
|
|
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
|
|
E(PUHF)= -0.11123283605D+03 E(PMP2)= -0.11170420889D+03
|
|
Leave Link 804 at Sat Mar 30 13:11:23 2019, MaxMem= 33554432 cpu: 70.8
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
|
|
CIDS: MDV= 33554432.
|
|
Frozen-core window: NFC= 2 NFV= 0.
|
|
IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0
|
|
Using original routines for 1st iteration, S=T.
|
|
Using DD4UQ or CC4UQ for 2nd and later iterations.
|
|
Would need an additional 495827068 words for in-memory AO integral storage.
|
|
CCSD(T)
|
|
=======
|
|
Iterations= 50 Convergence= 0.100D-06
|
|
Iteration Nr. 1
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
FoFJK: IHMeth= 1 ICntrl= 200 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
|
|
IRaf= 990000000 NMat= 140 IRICut= 227 DoRegI=T DoRafI=T ISym2E=-1.
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
|
|
wScrn= 0.000000 ICntrl= 200 IOpCl= 0 I1Cent= 0 NGrid= 0
|
|
NMat0= 140 NMatS0= 0 NMatT0= 49 NMatD0= 140 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
MP4(R+Q)= 0.22379988D-01
|
|
Maximum subspace dimension= 5
|
|
Norm of the A-vectors is 9.7664957D-02 conv= 1.00D-05.
|
|
RLE energy= -0.4611304640
|
|
E3= -0.11910119D-01 EROMP3= -0.11171611901D+03
|
|
E4(SDQ)= -0.15867322D-02 ROMP4(SDQ)= -0.11171770574D+03
|
|
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
|
|
DE(Corr)= -0.46090297 E(Corr)= -111.69373902
|
|
NORM(A)= 0.10576601D+01
|
|
Iteration Nr. 2
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 4.3988289D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4635769794
|
|
DE(Corr)= -0.47258189 E(CORR)= -111.70541794 Delta=-1.17D-02
|
|
NORM(A)= 0.10583917D+01
|
|
Iteration Nr. 3
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 3.6389859D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4750038948
|
|
DE(Corr)= -0.47469274 E(CORR)= -111.70752879 Delta=-2.11D-03
|
|
NORM(A)= 0.10626691D+01
|
|
Iteration Nr. 4
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 1.8625777D-01 conv= 1.00D-05.
|
|
RLE energy= -0.4853057896
|
|
DE(Corr)= -0.47943472 E(CORR)= -111.71227077 Delta=-4.74D-03
|
|
NORM(A)= 0.10681680D+01
|
|
Iteration Nr. 5
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 1.9427041D-02 conv= 1.00D-05.
|
|
RLE energy= -0.4846911807
|
|
DE(Corr)= -0.48492966 E(CORR)= -111.71776571 Delta=-5.49D-03
|
|
NORM(A)= 0.10678936D+01
|
|
Iteration Nr. 6
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 4.4963375D-03 conv= 1.00D-05.
|
|
RLE energy= -0.4844848964
|
|
DE(Corr)= -0.48457612 E(CORR)= -111.71741217 Delta= 3.54D-04
|
|
NORM(A)= 0.10677950D+01
|
|
Iteration Nr. 7
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 9.6520610D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4844782941
|
|
DE(Corr)= -0.48447991 E(CORR)= -111.71731596 Delta= 9.62D-05
|
|
NORM(A)= 0.10677972D+01
|
|
Iteration Nr. 8
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 4.6709781D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4844809091
|
|
DE(Corr)= -0.48448261 E(CORR)= -111.71731866 Delta=-2.70D-06
|
|
NORM(A)= 0.10677971D+01
|
|
Iteration Nr. 9
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 1.7065704D-04 conv= 1.00D-05.
|
|
RLE energy= -0.4844811264
|
|
DE(Corr)= -0.48447980 E(CORR)= -111.71731585 Delta= 2.80D-06
|
|
NORM(A)= 0.10677984D+01
|
|
Iteration Nr. 10
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 7.2470455D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4844808231
|
|
DE(Corr)= -0.48448060 E(CORR)= -111.71731666 Delta=-8.02D-07
|
|
NORM(A)= 0.10677983D+01
|
|
Iteration Nr. 11
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 1.9866682D-05 conv= 1.00D-05.
|
|
RLE energy= -0.4844804956
|
|
DE(Corr)= -0.48448048 E(CORR)= -111.71731653 Delta= 1.27D-07
|
|
NORM(A)= 0.10677982D+01
|
|
Iteration Nr. 12
|
|
**********************
|
|
DD1Dir will call FoFJK 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
|
|
Norm of the A-vectors is 5.7861486D-06 conv= 1.00D-05.
|
|
RLE energy= -0.4844804544
|
|
DE(Corr)= -0.48448046 E(CORR)= -111.71731652 Delta= 1.31D-08
|
|
NORM(A)= 0.10677982D+01
|
|
CI/CC converged in 12 iterations to DelEn= 1.31D-08 Conv= 1.00D-07 ErrA1= 5.79D-06 Conv= 1.00D-05
|
|
Largest amplitude= 2.09D-02
|
|
Time for triples= 1557.10 seconds.
|
|
T4(CCSD)= -0.18967628D-01
|
|
T5(CCSD)= 0.42439938D-03
|
|
CCSD(T)= -0.11173585974D+03
|
|
Discarding MO integrals.
|
|
Leave Link 913 at Sat Mar 30 14:30:28 2019, MaxMem= 33554432 cpu: 2515.3
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
|
|
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.
|
|
|
|
**********************************************************************
|
|
|
|
Population analysis using the SCF density.
|
|
|
|
**********************************************************************
|
|
|
|
Orbital symmetries:
|
|
Occupied (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
Virtual (A) (B) (B) (A) (B) (A) (A) (B) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
|
|
(A) (A) (B) (B) (A) (A) (A) (B) (B) (A) (B) (B)
|
|
(A) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (B)
|
|
(A) (A) (B) (A) (B) (A) (B) (B) (B) (A) (A) (B)
|
|
(A) (A) (B) (A) (A) (B) (A) (A) (B) (B) (A) (B)
|
|
(A) (B) (A) (B) (B) (A) (B) (A) (B) (B) (A) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (A) (B) (A) (B)
|
|
(A) (A) (A) (B) (B) (B) (A) (B) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (B) (A) (B) (A) (B)
|
|
(A) (B) (A) (A) (B) (B) (B) (A) (A) (B) (B) (A)
|
|
(A) (A) (B) (A) (B) (A) (B) (A) (A) (B) (A) (B)
|
|
(A) (B) (A) (B) (B) (A) (A) (B) (B) (A) (A) (B)
|
|
(A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (B) (A) (B) (A) (A) (B) (A) (A) (B)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (A) (B) (A) (B)
|
|
(B) (A) (A) (B) (A) (B) (B) (A) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B)
|
|
The electronic state is 1-A.
|
|
Alpha occ. eigenvalues -- -15.56793 -15.56748 -1.25225 -1.00796 -0.67282
|
|
Alpha occ. eigenvalues -- -0.66465 -0.60197 -0.41552 -0.41214
|
|
Alpha virt. eigenvalues -- 0.11395 0.14265 0.17811 0.18087 0.34985
|
|
Alpha virt. eigenvalues -- 0.38299 0.40796 0.42500 0.45780 0.48262
|
|
Alpha virt. eigenvalues -- 0.49813 0.53351 0.55834 0.57641 0.59557
|
|
Alpha virt. eigenvalues -- 0.60483 0.61585 0.64241 0.70741 0.85723
|
|
Alpha virt. eigenvalues -- 0.88866 0.89954 0.92986 1.01467 1.02658
|
|
Alpha virt. eigenvalues -- 1.07129 1.10169 1.14718 1.15179 1.20959
|
|
Alpha virt. eigenvalues -- 1.24025 1.24260 1.26864 1.28081 1.34624
|
|
Alpha virt. eigenvalues -- 1.37517 1.41357 1.50824 1.56233 1.60626
|
|
Alpha virt. eigenvalues -- 1.66310 1.77316 1.96190 2.03332 2.16749
|
|
Alpha virt. eigenvalues -- 2.17124 2.24714 2.30382 2.33632 2.34373
|
|
Alpha virt. eigenvalues -- 2.35057 2.41576 2.44029 2.45255 2.46935
|
|
Alpha virt. eigenvalues -- 2.49034 2.51592 2.53837 2.57371 2.57962
|
|
Alpha virt. eigenvalues -- 2.58645 2.60257 2.62724 2.64783 2.73941
|
|
Alpha virt. eigenvalues -- 2.76579 2.79702 2.81069 2.81814 2.85551
|
|
Alpha virt. eigenvalues -- 2.88621 2.94934 2.97752 3.03547 3.04081
|
|
Alpha virt. eigenvalues -- 3.08769 3.11226 3.14442 3.18303 3.27917
|
|
Alpha virt. eigenvalues -- 3.31419 3.34050 3.36496 3.58144 3.64654
|
|
Alpha virt. eigenvalues -- 3.71389 3.72005 3.87284 3.88477 3.95117
|
|
Alpha virt. eigenvalues -- 3.96336 3.97788 4.11916 4.12061 4.20926
|
|
Alpha virt. eigenvalues -- 4.23783 4.32390 4.36438 4.38876 4.38890
|
|
Alpha virt. eigenvalues -- 4.46564 4.67469 4.69293 4.73992 4.89539
|
|
Alpha virt. eigenvalues -- 4.90461 5.49367 6.03565 6.06449 6.07906
|
|
Alpha virt. eigenvalues -- 6.20832 6.22657 6.25022 6.27395 6.28974
|
|
Alpha virt. eigenvalues -- 6.38152 6.40125 6.49681 6.63974 6.79525
|
|
Alpha virt. eigenvalues -- 6.85890 6.92757 6.96537 7.05911 7.10234
|
|
Alpha virt. eigenvalues -- 7.15195 7.22289 7.25316 7.29169 7.36522
|
|
Alpha virt. eigenvalues -- 7.41253 7.42475 7.44321 7.51863 7.53698
|
|
Alpha virt. eigenvalues -- 7.58434 7.65789 7.72021 7.81685 7.84673
|
|
Alpha virt. eigenvalues -- 7.87041 7.90846 7.94341 7.97480 8.00671
|
|
Alpha virt. eigenvalues -- 8.08451 8.08458 8.11642 8.15928 8.18523
|
|
Alpha virt. eigenvalues -- 8.26080 8.26474 8.29761 8.32271 8.33890
|
|
Alpha virt. eigenvalues -- 8.35573 8.41159 8.43366 8.47598 8.54294
|
|
Alpha virt. eigenvalues -- 8.54781 8.59864 8.61982 8.64355 8.65911
|
|
Alpha virt. eigenvalues -- 8.67349 8.70350 8.77648 8.80830 8.82467
|
|
Alpha virt. eigenvalues -- 8.87542 8.90958 8.91732 8.98129 9.01395
|
|
Alpha virt. eigenvalues -- 9.14343 9.18035 9.22071 9.25799 9.31339
|
|
Alpha virt. eigenvalues -- 9.35603 9.56008 9.57908 9.61415 9.65348
|
|
Alpha virt. eigenvalues -- 9.65430 9.76398 9.78213 9.94620 9.98492
|
|
Alpha virt. eigenvalues -- 10.02217 10.15166 10.23271 10.30841 10.37263
|
|
Alpha virt. eigenvalues -- 10.40104 10.46957 10.51470 10.56479 11.07407
|
|
Alpha virt. eigenvalues -- 11.15202 11.19818 11.61022 11.80052 11.92408
|
|
Alpha virt. eigenvalues -- 11.98673 12.04483 12.09057 12.10218 12.14278
|
|
Alpha virt. eigenvalues -- 12.22101 12.26443 12.61762 12.65400 12.89513
|
|
Alpha virt. eigenvalues -- 13.92336 14.01850 14.55773 14.59193 34.15358
|
|
Alpha virt. eigenvalues -- 35.12504
|
|
Molecular Orbital Coefficients:
|
|
1 2 3 4 5
|
|
O O O O O
|
|
Eigenvalues -- -15.56793 -15.56748 -1.25225 -1.00796 -0.67282
|
|
1 1 N 1S 0.42694 0.42699 -0.08395 -0.07710 0.00739
|
|
2 2S -0.30394 -0.30398 0.14208 0.13218 -0.01282
|
|
3 3S 0.01331 0.01364 0.15869 0.15342 -0.01265
|
|
4 4S -0.00342 -0.00466 0.33326 0.31154 -0.05194
|
|
5 5S 0.00004 0.00052 0.09073 0.14526 -0.03466
|
|
6 6PX -0.00076 -0.00075 -0.00602 -0.01573 0.02128
|
|
7 6PY -0.00074 -0.00066 -0.01882 0.02920 0.04024
|
|
8 6PZ 0.00087 0.00088 0.00758 0.01168 0.07891
|
|
9 7PX 0.00017 0.00015 -0.01289 -0.03156 0.04069
|
|
10 7PY 0.00018 0.00019 -0.03803 0.05505 0.07780
|
|
11 7PZ -0.00014 -0.00023 0.01639 0.02384 0.15041
|
|
12 8PX 0.00032 0.00016 -0.01631 -0.03828 0.04587
|
|
13 8PY -0.00057 0.00075 -0.04604 0.06434 0.09426
|
|
14 8PZ -0.00016 -0.00027 0.02162 0.02992 0.17802
|
|
15 9PX 0.00015 0.00006 0.00264 -0.00628 0.00904
|
|
16 9PY -0.00026 -0.00028 -0.00532 0.01149 0.02596
|
|
17 9PZ -0.00005 0.00000 0.00092 0.00330 0.06374
|
|
18 10D 0 -0.00001 0.00000 -0.00045 0.00099 0.00363
|
|
19 10D+1 0.00003 0.00004 0.00017 0.00057 0.00023
|
|
20 10D-1 0.00003 0.00003 -0.00003 0.00079 0.00084
|
|
21 10D+2 -0.00001 -0.00001 -0.00071 0.00202 0.00026
|
|
22 10D-2 -0.00002 -0.00002 -0.00007 -0.00039 0.00066
|
|
23 11D 0 0.00003 0.00006 -0.00410 0.00334 0.01366
|
|
24 11D+1 -0.00006 -0.00011 0.00284 0.00351 -0.00017
|
|
25 11D-1 -0.00005 -0.00006 0.00111 0.00398 -0.00085
|
|
26 11D+2 -0.00002 0.00016 -0.00689 0.00676 0.00349
|
|
27 11D-2 0.00005 0.00002 -0.00137 -0.00183 0.00210
|
|
28 12D 0 -0.00004 0.00008 -0.00315 0.00372 0.01373
|
|
29 12D+1 -0.00021 -0.00023 0.00101 0.00063 -0.00062
|
|
30 12D-1 -0.00012 -0.00038 -0.00029 0.00263 -0.00120
|
|
31 12D+2 -0.00021 0.00018 -0.00506 0.00841 0.00300
|
|
32 12D-2 0.00046 -0.00006 0.00078 -0.00265 0.00074
|
|
33 13F 0 0.00004 0.00004 0.00043 0.00066 -0.00024
|
|
34 13F+1 0.00004 0.00004 0.00049 0.00077 0.00059
|
|
35 13F-1 0.00005 0.00005 0.00096 0.00027 0.00030
|
|
36 13F+2 -0.00002 -0.00002 -0.00031 -0.00039 -0.00055
|
|
37 13F-2 0.00003 0.00004 0.00016 0.00040 0.00022
|
|
38 13F+3 -0.00004 -0.00003 -0.00039 -0.00024 0.00033
|
|
39 13F-3 0.00007 0.00005 0.00117 0.00023 -0.00084
|
|
40 14F 0 -0.00006 -0.00017 0.00082 0.00095 -0.00192
|
|
41 14F+1 -0.00006 -0.00008 0.00158 0.00169 0.00087
|
|
42 14F-1 -0.00002 -0.00015 0.00424 0.00069 -0.00121
|
|
43 14F+2 0.00001 -0.00002 -0.00135 -0.00094 -0.00232
|
|
44 14F-2 0.00000 -0.00001 0.00099 0.00079 -0.00007
|
|
45 14F+3 0.00012 0.00009 -0.00055 -0.00019 0.00025
|
|
46 14F-3 -0.00005 -0.00007 0.00494 0.00106 -0.00229
|
|
47 15G 0 -0.00001 -0.00003 0.00050 0.00012 -0.00031
|
|
48 15G+1 -0.00001 -0.00001 -0.00001 0.00005 0.00034
|
|
49 15G-1 0.00000 0.00002 0.00040 0.00026 0.00076
|
|
50 15G+2 0.00001 0.00000 0.00043 -0.00027 -0.00055
|
|
51 15G-2 0.00000 0.00001 0.00021 0.00013 0.00014
|
|
52 15G+3 0.00000 -0.00001 0.00002 0.00007 -0.00011
|
|
53 15G-3 0.00000 0.00000 0.00000 -0.00008 0.00063
|
|
54 15G+4 0.00000 -0.00002 0.00085 -0.00003 -0.00042
|
|
55 15G-4 -0.00002 -0.00001 -0.00025 -0.00038 0.00000
|
|
56 2 N 1S 0.42694 -0.42699 -0.08395 0.07710 0.00739
|
|
57 2S -0.30394 0.30398 0.14208 -0.13218 -0.01282
|
|
58 3S 0.01331 -0.01364 0.15869 -0.15342 -0.01265
|
|
59 4S -0.00342 0.00466 0.33326 -0.31154 -0.05194
|
|
60 5S 0.00004 -0.00052 0.09073 -0.14526 -0.03466
|
|
61 6PX 0.00076 -0.00075 0.00602 -0.01573 -0.02128
|
|
62 6PY 0.00074 -0.00066 0.01882 0.02920 -0.04024
|
|
63 6PZ 0.00087 -0.00088 0.00758 -0.01168 0.07891
|
|
64 7PX -0.00017 0.00015 0.01289 -0.03156 -0.04069
|
|
65 7PY -0.00018 0.00019 0.03803 0.05505 -0.07780
|
|
66 7PZ -0.00014 0.00023 0.01639 -0.02384 0.15041
|
|
67 8PX -0.00032 0.00016 0.01631 -0.03828 -0.04587
|
|
68 8PY 0.00057 0.00075 0.04604 0.06434 -0.09426
|
|
69 8PZ -0.00016 0.00027 0.02162 -0.02992 0.17802
|
|
70 9PX -0.00015 0.00006 -0.00264 -0.00628 -0.00904
|
|
71 9PY 0.00026 -0.00028 0.00532 0.01149 -0.02596
|
|
72 9PZ -0.00005 0.00000 0.00092 -0.00330 0.06374
|
|
73 10D 0 -0.00001 0.00000 -0.00045 -0.00099 0.00363
|
|
74 10D+1 -0.00003 0.00004 -0.00017 0.00057 -0.00023
|
|
75 10D-1 -0.00003 0.00003 0.00003 0.00079 -0.00084
|
|
76 10D+2 -0.00001 0.00001 -0.00071 -0.00202 0.00026
|
|
77 10D-2 -0.00002 0.00002 -0.00007 0.00039 0.00066
|
|
78 11D 0 0.00003 -0.00006 -0.00410 -0.00334 0.01366
|
|
79 11D+1 0.00006 -0.00011 -0.00284 0.00351 0.00017
|
|
80 11D-1 0.00005 -0.00006 -0.00111 0.00398 0.00085
|
|
81 11D+2 -0.00002 -0.00016 -0.00689 -0.00676 0.00349
|
|
82 11D-2 0.00005 -0.00002 -0.00137 0.00183 0.00210
|
|
83 12D 0 -0.00004 -0.00008 -0.00315 -0.00372 0.01373
|
|
84 12D+1 0.00021 -0.00023 -0.00101 0.00063 0.00062
|
|
85 12D-1 0.00012 -0.00038 0.00029 0.00263 0.00120
|
|
86 12D+2 -0.00021 -0.00018 -0.00506 -0.00841 0.00300
|
|
87 12D-2 0.00046 0.00006 0.00078 0.00265 0.00074
|
|
88 13F 0 0.00004 -0.00004 0.00043 -0.00066 -0.00024
|
|
89 13F+1 -0.00004 0.00004 -0.00049 0.00077 -0.00059
|
|
90 13F-1 -0.00005 0.00005 -0.00096 0.00027 -0.00030
|
|
91 13F+2 -0.00002 0.00002 -0.00031 0.00039 -0.00055
|
|
92 13F-2 0.00003 -0.00004 0.00016 -0.00040 0.00022
|
|
93 13F+3 0.00004 -0.00003 0.00039 -0.00024 -0.00033
|
|
94 13F-3 -0.00007 0.00005 -0.00117 0.00023 0.00084
|
|
95 14F 0 -0.00006 0.00017 0.00082 -0.00095 -0.00192
|
|
96 14F+1 0.00006 -0.00008 -0.00158 0.00169 -0.00087
|
|
97 14F-1 0.00002 -0.00015 -0.00424 0.00069 0.00121
|
|
98 14F+2 0.00001 0.00002 -0.00135 0.00094 -0.00232
|
|
99 14F-2 0.00000 0.00001 0.00099 -0.00079 -0.00007
|
|
100 14F+3 -0.00012 0.00009 0.00055 -0.00019 -0.00025
|
|
101 14F-3 0.00005 -0.00007 -0.00494 0.00106 0.00229
|
|
102 15G 0 -0.00001 0.00003 0.00050 -0.00012 -0.00031
|
|
103 15G+1 0.00001 -0.00001 0.00001 0.00005 -0.00034
|
|
104 15G-1 0.00000 0.00002 -0.00040 0.00026 -0.00076
|
|
105 15G+2 0.00001 0.00000 0.00043 0.00027 -0.00055
|
|
106 15G-2 0.00000 -0.00001 0.00021 -0.00013 0.00014
|
|
107 15G+3 0.00000 -0.00001 -0.00002 0.00007 0.00011
|
|
108 15G-3 0.00000 0.00000 0.00000 -0.00008 -0.00063
|
|
109 15G+4 0.00000 0.00002 0.00085 0.00003 -0.00042
|
|
110 15G-4 -0.00002 0.00001 -0.00025 0.00038 0.00000
|
|
111 3 H 1S 0.00002 0.00002 0.02035 0.02985 0.04450
|
|
112 2S 0.00043 0.00052 0.04703 0.07475 0.11767
|
|
113 3S 0.00045 0.00092 0.03931 0.06678 0.16901
|
|
114 4S -0.00004 -0.00004 0.00139 0.00657 0.03888
|
|
115 5PX 0.00001 0.00001 -0.00091 -0.00139 -0.00098
|
|
116 5PY 0.00001 0.00002 -0.00146 -0.00118 -0.00156
|
|
117 5PZ -0.00001 0.00000 -0.00283 -0.00382 -0.00344
|
|
118 6PX -0.00006 -0.00008 -0.00129 -0.00264 -0.00352
|
|
119 6PY -0.00010 -0.00019 -0.00351 -0.00219 -0.00615
|
|
120 6PZ -0.00013 -0.00023 -0.00403 -0.00833 -0.01275
|
|
121 7PX -0.00003 -0.00006 -0.00250 -0.00301 -0.00645
|
|
122 7PY 0.00002 -0.00011 -0.00393 -0.00060 -0.00717
|
|
123 7PZ -0.00016 -0.00042 -0.00259 -0.00487 -0.01467
|
|
124 8D 0 0.00001 0.00000 0.00052 0.00094 0.00096
|
|
125 8D+1 0.00001 0.00001 0.00042 0.00069 0.00044
|
|
126 8D-1 0.00001 0.00002 0.00070 0.00062 0.00077
|
|
127 8D+2 -0.00001 0.00000 -0.00022 0.00006 -0.00017
|
|
128 8D-2 0.00001 0.00001 0.00020 0.00015 0.00021
|
|
129 9D 0 -0.00004 0.00001 -0.00027 0.00134 0.00309
|
|
130 9D+1 0.00001 0.00003 0.00034 0.00070 0.00221
|
|
131 9D-1 -0.00001 0.00008 0.00089 0.00049 0.00309
|
|
132 9D+2 0.00002 -0.00005 -0.00051 0.00027 -0.00036
|
|
133 9D-2 -0.00003 0.00003 0.00030 0.00047 0.00091
|
|
134 10F 0 0.00003 0.00003 0.00012 -0.00015 -0.00033
|
|
135 10F+1 -0.00001 -0.00001 -0.00019 -0.00026 -0.00033
|
|
136 10F-1 -0.00001 -0.00003 -0.00014 -0.00019 -0.00050
|
|
137 10F+2 0.00000 0.00001 0.00022 -0.00010 0.00004
|
|
138 10F-2 -0.00002 -0.00003 -0.00012 -0.00014 -0.00023
|
|
139 10F+3 0.00000 0.00001 0.00006 0.00000 0.00006
|
|
140 10F-3 0.00000 0.00000 0.00001 -0.00007 -0.00003
|
|
141 4 H 1S 0.00003 0.00002 0.02031 0.03101 -0.01582
|
|
142 2S 0.00044 0.00042 0.04712 0.07744 -0.04119
|
|
143 3S 0.00120 0.00046 0.04066 0.06616 -0.05434
|
|
144 4S -0.00007 0.00003 0.00122 0.00550 -0.01466
|
|
145 5PX -0.00001 0.00001 0.00295 0.00407 -0.00151
|
|
146 5PY 0.00000 0.00004 -0.00122 -0.00087 0.00136
|
|
147 5PZ -0.00002 0.00000 0.00087 0.00138 0.00108
|
|
148 6PX 0.00022 0.00014 0.00476 0.00910 -0.00434
|
|
149 6PY -0.00006 -0.00022 -0.00312 -0.00189 0.00409
|
|
150 6PZ 0.00011 0.00004 0.00148 0.00204 0.00345
|
|
151 7PX 0.00052 0.00019 0.00433 0.00463 -0.00546
|
|
152 7PY 0.00000 -0.00013 -0.00178 -0.00022 0.00455
|
|
153 7PZ 0.00010 -0.00003 0.00278 0.00352 0.00498
|
|
154 8D 0 0.00000 -0.00001 -0.00048 -0.00051 0.00058
|
|
155 8D+1 0.00001 0.00001 0.00044 0.00063 0.00049
|
|
156 8D-1 -0.00001 -0.00001 -0.00014 -0.00006 -0.00006
|
|
157 8D+2 0.00000 0.00001 0.00041 0.00099 -0.00013
|
|
158 8D-2 -0.00001 -0.00002 -0.00065 -0.00049 0.00070
|
|
159 9D 0 -0.00001 -0.00003 -0.00026 -0.00055 0.00114
|
|
160 9D+1 0.00006 0.00000 0.00053 0.00069 0.00078
|
|
161 9D-1 0.00000 0.00000 -0.00040 -0.00037 -0.00032
|
|
162 9D+2 0.00004 -0.00007 0.00040 0.00140 -0.00072
|
|
163 9D-2 -0.00002 -0.00010 -0.00087 -0.00064 0.00155
|
|
164 10F 0 -0.00002 -0.00001 -0.00018 -0.00015 -0.00006
|
|
165 10F+1 0.00002 0.00001 -0.00012 -0.00006 0.00036
|
|
166 10F-1 0.00001 0.00001 0.00002 -0.00001 -0.00012
|
|
167 10F+2 0.00002 0.00001 0.00018 0.00021 0.00014
|
|
168 10F-2 -0.00003 -0.00002 -0.00012 -0.00007 -0.00010
|
|
169 10F+3 -0.00002 -0.00003 -0.00010 0.00025 0.00010
|
|
170 10F-3 -0.00002 -0.00003 -0.00024 -0.00019 0.00038
|
|
171 5 H 1S 0.00002 -0.00002 0.02035 -0.02985 0.04450
|
|
172 2S 0.00043 -0.00052 0.04703 -0.07475 0.11767
|
|
173 3S 0.00045 -0.00092 0.03931 -0.06678 0.16901
|
|
174 4S -0.00004 0.00004 0.00139 -0.00657 0.03888
|
|
175 5PX -0.00001 0.00001 0.00091 -0.00139 0.00098
|
|
176 5PY -0.00001 0.00002 0.00146 -0.00118 0.00156
|
|
177 5PZ -0.00001 0.00000 -0.00283 0.00382 -0.00344
|
|
178 6PX 0.00006 -0.00008 0.00129 -0.00264 0.00352
|
|
179 6PY 0.00010 -0.00019 0.00351 -0.00219 0.00615
|
|
180 6PZ -0.00013 0.00023 -0.00403 0.00833 -0.01275
|
|
181 7PX 0.00003 -0.00006 0.00250 -0.00301 0.00645
|
|
182 7PY -0.00002 -0.00011 0.00393 -0.00060 0.00717
|
|
183 7PZ -0.00016 0.00042 -0.00259 0.00487 -0.01467
|
|
184 8D 0 0.00001 0.00000 0.00052 -0.00094 0.00096
|
|
185 8D+1 -0.00001 0.00001 -0.00042 0.00069 -0.00044
|
|
186 8D-1 -0.00001 0.00002 -0.00070 0.00062 -0.00077
|
|
187 8D+2 -0.00001 0.00000 -0.00022 -0.00006 -0.00017
|
|
188 8D-2 0.00001 -0.00001 0.00020 -0.00015 0.00021
|
|
189 9D 0 -0.00004 -0.00001 -0.00027 -0.00134 0.00309
|
|
190 9D+1 -0.00001 0.00003 -0.00034 0.00070 -0.00221
|
|
191 9D-1 0.00001 0.00008 -0.00089 0.00049 -0.00309
|
|
192 9D+2 0.00002 0.00005 -0.00051 -0.00027 -0.00036
|
|
193 9D-2 -0.00003 -0.00003 0.00030 -0.00047 0.00091
|
|
194 10F 0 0.00003 -0.00003 0.00012 0.00015 -0.00033
|
|
195 10F+1 0.00001 -0.00001 0.00019 -0.00026 0.00033
|
|
196 10F-1 0.00001 -0.00003 0.00014 -0.00019 0.00050
|
|
197 10F+2 0.00000 -0.00001 0.00022 0.00010 0.00004
|
|
198 10F-2 -0.00002 0.00003 -0.00012 0.00014 -0.00023
|
|
199 10F+3 0.00000 0.00001 -0.00006 0.00000 -0.00006
|
|
200 10F-3 0.00000 0.00000 -0.00001 -0.00007 0.00003
|
|
201 6 H 1S 0.00003 -0.00002 0.02031 -0.03101 -0.01582
|
|
202 2S 0.00044 -0.00042 0.04712 -0.07744 -0.04119
|
|
203 3S 0.00120 -0.00046 0.04066 -0.06616 -0.05434
|
|
204 4S -0.00007 -0.00003 0.00122 -0.00550 -0.01466
|
|
205 5PX 0.00001 0.00001 -0.00295 0.00407 0.00151
|
|
206 5PY 0.00000 0.00004 0.00122 -0.00087 -0.00136
|
|
207 5PZ -0.00002 0.00000 0.00087 -0.00138 0.00108
|
|
208 6PX -0.00022 0.00014 -0.00476 0.00910 0.00434
|
|
209 6PY 0.00006 -0.00022 0.00312 -0.00189 -0.00409
|
|
210 6PZ 0.00011 -0.00004 0.00148 -0.00204 0.00345
|
|
211 7PX -0.00052 0.00019 -0.00433 0.00463 0.00546
|
|
212 7PY 0.00000 -0.00013 0.00178 -0.00022 -0.00455
|
|
213 7PZ 0.00010 0.00003 0.00278 -0.00352 0.00498
|
|
214 8D 0 0.00000 0.00001 -0.00048 0.00051 0.00058
|
|
215 8D+1 -0.00001 0.00001 -0.00044 0.00063 -0.00049
|
|
216 8D-1 0.00001 -0.00001 0.00014 -0.00006 0.00006
|
|
217 8D+2 0.00000 -0.00001 0.00041 -0.00099 -0.00013
|
|
218 8D-2 -0.00001 0.00002 -0.00065 0.00049 0.00070
|
|
219 9D 0 -0.00001 0.00003 -0.00026 0.00055 0.00114
|
|
220 9D+1 -0.00006 0.00000 -0.00053 0.00069 -0.00078
|
|
221 9D-1 0.00000 0.00000 0.00040 -0.00037 0.00032
|
|
222 9D+2 0.00004 0.00007 0.00040 -0.00140 -0.00072
|
|
223 9D-2 -0.00002 0.00010 -0.00087 0.00064 0.00155
|
|
224 10F 0 -0.00002 0.00001 -0.00018 0.00015 -0.00006
|
|
225 10F+1 -0.00002 0.00001 0.00012 -0.00006 -0.00036
|
|
226 10F-1 -0.00001 0.00001 -0.00002 -0.00001 0.00012
|
|
227 10F+2 0.00002 -0.00001 0.00018 -0.00021 0.00014
|
|
228 10F-2 -0.00003 0.00002 -0.00012 0.00007 -0.00010
|
|
229 10F+3 0.00002 -0.00003 0.00010 0.00025 -0.00010
|
|
230 10F-3 0.00002 -0.00003 0.00024 -0.00019 -0.00038
|
|
6 7 8 9 10
|
|
O O O O V
|
|
Eigenvalues -- -0.66465 -0.60197 -0.41552 -0.41214 0.11395
|
|
1 1 N 1S -0.01099 -0.00040 0.02744 -0.01969 -0.02264
|
|
2 2S 0.01923 0.00102 -0.04868 0.03485 0.04119
|
|
3 3S 0.02398 0.00758 -0.06498 0.04748 0.01940
|
|
4 4S 0.05017 -0.01905 -0.12529 0.08008 0.33184
|
|
5 5S 0.02831 -0.01223 0.01306 0.08399 2.41065
|
|
6 6PX 0.08199 -0.04452 -0.04596 0.08534 -0.00715
|
|
7 6PY 0.00725 0.08853 -0.01415 0.04525 0.02118
|
|
8 6PZ 0.03359 -0.02042 0.09312 -0.05057 0.01906
|
|
9 7PX 0.15608 -0.08507 -0.08657 0.16284 -0.00323
|
|
10 7PY 0.01348 0.16993 -0.02457 0.08636 0.03048
|
|
11 7PZ 0.06448 -0.03883 0.17699 -0.09573 0.02027
|
|
12 8PX 0.19038 -0.09730 -0.13037 0.21175 -0.23202
|
|
13 8PY 0.01683 0.21283 -0.03989 0.10731 0.24297
|
|
14 8PZ 0.07078 -0.05235 0.23133 -0.14203 0.23564
|
|
15 9PX 0.07203 -0.03935 -0.11270 0.17848 -0.32044
|
|
16 9PY 0.01203 0.08674 -0.09319 0.08594 0.35323
|
|
17 9PZ 0.01853 -0.02272 0.19143 -0.12260 0.46594
|
|
18 10D 0 0.00277 0.00016 0.00185 0.00139 -0.00023
|
|
19 10D+1 0.00036 0.00063 -0.00059 0.00089 -0.00120
|
|
20 10D-1 0.00146 0.00087 0.00183 0.00171 -0.00050
|
|
21 10D+2 -0.00194 0.00425 -0.00036 -0.00079 -0.00193
|
|
22 10D-2 0.00009 -0.00191 0.00131 0.00130 0.00001
|
|
23 11D 0 0.00904 0.00287 0.00616 0.00413 0.00091
|
|
24 11D+1 0.00143 0.00134 -0.00217 0.00242 0.00932
|
|
25 11D-1 0.00526 0.00428 0.00791 0.00717 0.00239
|
|
26 11D+2 -0.00646 0.01890 -0.00002 -0.00289 0.01599
|
|
27 11D-2 -0.00322 -0.00721 0.00550 0.00581 -0.00522
|
|
28 12D 0 0.00984 0.00420 0.00494 -0.00031 0.02852
|
|
29 12D+1 0.00308 0.00149 0.00025 0.00480 0.06983
|
|
30 12D-1 0.00430 0.00565 0.00058 0.00734 0.06354
|
|
31 12D+2 -0.00660 0.02026 -0.00381 -0.00330 0.06197
|
|
32 12D-2 -0.00345 -0.00384 0.00500 -0.00763 -0.07642
|
|
33 13F 0 -0.00002 0.00036 0.00077 -0.00015 -0.00051
|
|
34 13F+1 -0.00011 0.00026 0.00078 -0.00036 0.00024
|
|
35 13F-1 0.00068 -0.00108 0.00089 -0.00017 -0.00186
|
|
36 13F+2 0.00057 -0.00039 0.00023 0.00076 -0.00006
|
|
37 13F-2 0.00019 0.00049 -0.00015 0.00045 -0.00009
|
|
38 13F+3 -0.00039 -0.00043 0.00035 0.00097 0.00043
|
|
39 13F-3 -0.00059 -0.00057 -0.00002 -0.00096 -0.00194
|
|
40 14F 0 -0.00065 0.00098 0.00208 0.00064 0.01550
|
|
41 14F+1 -0.00097 0.00010 0.00303 -0.00127 0.01800
|
|
42 14F-1 0.00113 -0.00367 0.00167 -0.00235 0.01600
|
|
43 14F+2 0.00050 0.00001 -0.00034 0.00326 -0.00878
|
|
44 14F-2 0.00015 0.00026 -0.00110 0.00147 0.00604
|
|
45 14F+3 -0.00304 0.00004 0.00223 0.00083 -0.01521
|
|
46 14F-3 -0.00140 -0.00409 0.00324 -0.00145 0.02059
|
|
47 15G 0 -0.00012 -0.00035 0.00045 -0.00032 0.00266
|
|
48 15G+1 0.00032 -0.00023 0.00019 0.00013 0.00023
|
|
49 15G-1 0.00007 -0.00016 0.00006 -0.00058 0.00237
|
|
50 15G+2 0.00007 -0.00075 0.00000 0.00008 -0.00216
|
|
51 15G-2 0.00044 0.00008 0.00002 -0.00003 0.00169
|
|
52 15G+3 -0.00024 0.00014 -0.00004 -0.00004 0.00015
|
|
53 15G-3 0.00007 -0.00038 -0.00019 -0.00035 -0.00101
|
|
54 15G+4 -0.00004 -0.00087 0.00013 -0.00051 0.00120
|
|
55 15G-4 0.00104 -0.00006 -0.00068 -0.00013 -0.00150
|
|
56 2 N 1S 0.01099 -0.00040 -0.02744 -0.01969 -0.02264
|
|
57 2S -0.01923 0.00102 0.04868 0.03485 0.04119
|
|
58 3S -0.02398 0.00758 0.06498 0.04748 0.01940
|
|
59 4S -0.05017 -0.01905 0.12529 0.08008 0.33184
|
|
60 5S -0.02831 -0.01223 -0.01306 0.08399 2.41065
|
|
61 6PX 0.08199 0.04452 -0.04596 -0.08534 0.00715
|
|
62 6PY 0.00725 -0.08853 -0.01415 -0.04525 -0.02118
|
|
63 6PZ -0.03359 -0.02042 -0.09312 -0.05057 0.01906
|
|
64 7PX 0.15608 0.08507 -0.08657 -0.16284 0.00323
|
|
65 7PY 0.01348 -0.16993 -0.02457 -0.08636 -0.03048
|
|
66 7PZ -0.06448 -0.03883 -0.17699 -0.09573 0.02027
|
|
67 8PX 0.19038 0.09730 -0.13037 -0.21175 0.23202
|
|
68 8PY 0.01683 -0.21283 -0.03989 -0.10731 -0.24297
|
|
69 8PZ -0.07078 -0.05235 -0.23133 -0.14203 0.23564
|
|
70 9PX 0.07203 0.03935 -0.11270 -0.17848 0.32044
|
|
71 9PY 0.01203 -0.08674 -0.09319 -0.08594 -0.35323
|
|
72 9PZ -0.01853 -0.02272 -0.19143 -0.12260 0.46594
|
|
73 10D 0 -0.00277 0.00016 -0.00185 0.00139 -0.00023
|
|
74 10D+1 0.00036 -0.00063 -0.00059 -0.00089 0.00120
|
|
75 10D-1 0.00146 -0.00087 0.00183 -0.00171 0.00050
|
|
76 10D+2 0.00194 0.00425 0.00036 -0.00079 -0.00193
|
|
77 10D-2 -0.00009 -0.00191 -0.00131 0.00130 0.00001
|
|
78 11D 0 -0.00904 0.00287 -0.00616 0.00413 0.00091
|
|
79 11D+1 0.00143 -0.00134 -0.00217 -0.00242 -0.00932
|
|
80 11D-1 0.00526 -0.00428 0.00791 -0.00717 -0.00239
|
|
81 11D+2 0.00646 0.01890 0.00002 -0.00289 0.01599
|
|
82 11D-2 0.00322 -0.00721 -0.00550 0.00581 -0.00522
|
|
83 12D 0 -0.00984 0.00420 -0.00494 -0.00031 0.02852
|
|
84 12D+1 0.00308 -0.00149 0.00025 -0.00480 -0.06983
|
|
85 12D-1 0.00430 -0.00565 0.00058 -0.00734 -0.06354
|
|
86 12D+2 0.00660 0.02026 0.00381 -0.00330 0.06197
|
|
87 12D-2 0.00345 -0.00384 -0.00500 -0.00763 -0.07642
|
|
88 13F 0 0.00002 0.00036 -0.00077 -0.00015 -0.00051
|
|
89 13F+1 -0.00011 -0.00026 0.00078 0.00036 -0.00024
|
|
90 13F-1 0.00068 0.00108 0.00089 0.00017 0.00186
|
|
91 13F+2 -0.00057 -0.00039 -0.00023 0.00076 -0.00006
|
|
92 13F-2 -0.00019 0.00049 0.00015 0.00045 -0.00009
|
|
93 13F+3 -0.00039 0.00043 0.00035 -0.00097 -0.00043
|
|
94 13F-3 -0.00059 0.00057 -0.00002 0.00096 0.00194
|
|
95 14F 0 0.00065 0.00098 -0.00208 0.00064 0.01550
|
|
96 14F+1 -0.00097 -0.00010 0.00303 0.00127 -0.01800
|
|
97 14F-1 0.00113 0.00367 0.00167 0.00235 -0.01600
|
|
98 14F+2 -0.00050 0.00001 0.00034 0.00326 -0.00878
|
|
99 14F-2 -0.00015 0.00026 0.00110 0.00147 0.00604
|
|
100 14F+3 -0.00304 -0.00004 0.00223 -0.00083 0.01521
|
|
101 14F-3 -0.00140 0.00409 0.00324 0.00145 -0.02059
|
|
102 15G 0 0.00012 -0.00035 -0.00045 -0.00032 0.00266
|
|
103 15G+1 0.00032 0.00023 0.00019 -0.00013 -0.00023
|
|
104 15G-1 0.00007 0.00016 0.00006 0.00058 -0.00237
|
|
105 15G+2 -0.00007 -0.00075 0.00000 0.00008 -0.00216
|
|
106 15G-2 -0.00044 0.00008 -0.00002 -0.00003 0.00169
|
|
107 15G+3 -0.00024 -0.00014 -0.00004 0.00004 -0.00015
|
|
108 15G-3 0.00007 0.00038 -0.00019 0.00035 0.00101
|
|
109 15G+4 0.00004 -0.00087 -0.00013 -0.00051 0.00120
|
|
110 15G-4 -0.00104 -0.00006 0.00068 -0.00013 -0.00150
|
|
111 3 H 1S 0.03194 0.00293 0.03162 0.00714 0.00329
|
|
112 2S 0.08352 0.00858 0.08702 0.02059 -0.04346
|
|
113 3S 0.11939 0.01462 0.10371 0.07864 -0.74459
|
|
114 4S 0.03046 0.00239 0.05039 0.02483 -1.13484
|
|
115 5PX 0.00074 -0.00091 -0.00198 0.00198 -0.00081
|
|
116 5PY -0.00128 0.00154 -0.00149 0.00101 0.00024
|
|
117 5PZ -0.00289 -0.00059 -0.00126 -0.00107 -0.00045
|
|
118 6PX 0.00170 -0.00304 -0.00657 0.00462 0.00640
|
|
119 6PY -0.00448 0.00504 -0.00308 0.00353 0.00730
|
|
120 6PZ -0.00986 -0.00355 -0.00286 -0.00981 0.01388
|
|
121 7PX 0.00299 -0.00521 -0.00936 0.00764 0.09625
|
|
122 7PY -0.00669 0.00766 0.00476 -0.00503 0.16829
|
|
123 7PZ -0.01263 -0.00443 0.00835 -0.02197 0.32332
|
|
124 8D 0 0.00091 0.00045 0.00009 0.00095 0.00044
|
|
125 8D+1 -0.00026 0.00044 0.00071 -0.00050 0.00041
|
|
126 8D-1 0.00073 -0.00058 0.00068 -0.00022 0.00140
|
|
127 8D+2 -0.00033 0.00051 0.00003 0.00015 -0.00121
|
|
128 8D-2 -0.00009 -0.00003 0.00056 -0.00052 -0.00073
|
|
129 9D 0 0.00242 0.00166 -0.00021 0.00484 -0.02063
|
|
130 9D+1 0.00022 0.00140 0.00231 -0.00095 -0.01548
|
|
131 9D-1 0.00281 -0.00104 -0.00050 0.00094 -0.02588
|
|
132 9D+2 -0.00080 0.00147 0.00096 -0.00057 0.00823
|
|
133 9D-2 -0.00030 -0.00044 0.00008 0.00044 -0.00296
|
|
134 10F 0 -0.00024 -0.00024 0.00017 -0.00070 -0.00034
|
|
135 10F+1 0.00002 -0.00022 -0.00027 0.00012 0.00100
|
|
136 10F-1 -0.00051 0.00011 -0.00002 -0.00024 0.00056
|
|
137 10F+2 0.00032 -0.00047 -0.00012 0.00013 -0.00007
|
|
138 10F-2 0.00008 0.00003 -0.00023 0.00015 0.00106
|
|
139 10F+3 0.00002 -0.00017 0.00001 0.00004 0.00007
|
|
140 10F-3 0.00011 -0.00005 -0.00009 -0.00002 0.00033
|
|
141 4 H 1S -0.03768 0.04078 -0.00313 -0.02546 0.00294
|
|
142 2S -0.09849 0.10908 -0.01031 -0.07278 -0.03751
|
|
143 3S -0.13142 0.15687 -0.06756 -0.08770 -0.80195
|
|
144 4S -0.03030 0.04345 -0.00667 -0.02317 -0.62025
|
|
145 5PX -0.00303 0.00365 -0.00063 -0.00107 0.00311
|
|
146 5PY 0.00164 0.00019 -0.00055 0.00168 -0.00021
|
|
147 5PZ -0.00063 0.00068 0.00213 -0.00197 0.00033
|
|
148 6PX -0.00915 0.01357 -0.00915 -0.00269 -0.03961
|
|
149 6PY 0.00675 0.00187 -0.00218 0.00421 0.01184
|
|
150 6PZ -0.00113 0.00260 0.00591 -0.00649 -0.00486
|
|
151 7PX -0.00952 0.01579 -0.02006 0.00691 -0.32511
|
|
152 7PY 0.00543 0.00393 0.00341 -0.00610 0.10761
|
|
153 7PZ -0.00447 0.00612 0.00973 -0.00917 -0.11869
|
|
154 8D 0 0.00062 -0.00047 0.00052 0.00011 -0.00112
|
|
155 8D+1 -0.00018 0.00035 0.00059 -0.00077 0.00058
|
|
156 8D-1 0.00014 0.00006 -0.00035 0.00058 -0.00092
|
|
157 8D+2 -0.00049 0.00126 -0.00057 0.00010 -0.00086
|
|
158 8D-2 0.00086 -0.00005 -0.00006 0.00094 -0.00027
|
|
159 9D 0 0.00151 -0.00130 0.00226 -0.00143 0.02119
|
|
160 9D+1 -0.00106 0.00216 0.00192 -0.00186 -0.02167
|
|
161 9D-1 0.00094 0.00007 0.00015 -0.00023 0.01083
|
|
162 9D+2 -0.00131 0.00421 -0.00415 -0.00031 -0.02333
|
|
163 9D-2 0.00274 -0.00022 0.00028 -0.00094 0.02273
|
|
164 10F 0 0.00019 -0.00014 -0.00009 0.00017 0.00170
|
|
165 10F+1 0.00027 -0.00012 0.00053 -0.00027 0.00008
|
|
166 10F-1 -0.00010 0.00008 0.00002 0.00007 -0.00050
|
|
167 10F+2 -0.00002 0.00025 0.00021 -0.00018 -0.00144
|
|
168 10F-2 0.00018 -0.00002 -0.00016 0.00021 0.00189
|
|
169 10F+3 -0.00009 0.00051 -0.00040 0.00024 -0.00057
|
|
170 10F-3 0.00044 -0.00016 0.00015 0.00009 0.00112
|
|
171 5 H 1S -0.03194 0.00293 -0.03162 0.00714 0.00329
|
|
172 2S -0.08352 0.00858 -0.08702 0.02059 -0.04346
|
|
173 3S -0.11939 0.01462 -0.10371 0.07864 -0.74459
|
|
174 4S -0.03046 0.00239 -0.05039 0.02483 -1.13484
|
|
175 5PX 0.00074 0.00091 -0.00198 -0.00198 0.00081
|
|
176 5PY -0.00128 -0.00154 -0.00149 -0.00101 -0.00024
|
|
177 5PZ 0.00289 -0.00059 0.00126 -0.00107 -0.00045
|
|
178 6PX 0.00170 0.00304 -0.00657 -0.00462 -0.00640
|
|
179 6PY -0.00448 -0.00504 -0.00308 -0.00353 -0.00730
|
|
180 6PZ 0.00986 -0.00355 0.00286 -0.00981 0.01388
|
|
181 7PX 0.00299 0.00521 -0.00936 -0.00764 -0.09625
|
|
182 7PY -0.00669 -0.00766 0.00476 0.00503 -0.16829
|
|
183 7PZ 0.01263 -0.00443 -0.00835 -0.02197 0.32332
|
|
184 8D 0 -0.00091 0.00045 -0.00009 0.00095 0.00044
|
|
185 8D+1 -0.00026 -0.00044 0.00071 0.00050 -0.00041
|
|
186 8D-1 0.00073 0.00058 0.00068 0.00022 -0.00140
|
|
187 8D+2 0.00033 0.00051 -0.00003 0.00015 -0.00121
|
|
188 8D-2 0.00009 -0.00003 -0.00056 -0.00052 -0.00073
|
|
189 9D 0 -0.00242 0.00166 0.00021 0.00484 -0.02063
|
|
190 9D+1 0.00022 -0.00140 0.00231 0.00095 0.01548
|
|
191 9D-1 0.00281 0.00104 -0.00050 -0.00094 0.02588
|
|
192 9D+2 0.00080 0.00147 -0.00096 -0.00057 0.00823
|
|
193 9D-2 0.00030 -0.00044 -0.00008 0.00044 -0.00296
|
|
194 10F 0 0.00024 -0.00024 -0.00017 -0.00070 -0.00034
|
|
195 10F+1 0.00002 0.00022 -0.00027 -0.00012 -0.00100
|
|
196 10F-1 -0.00051 -0.00011 -0.00002 0.00024 -0.00056
|
|
197 10F+2 -0.00032 -0.00047 0.00012 0.00013 -0.00007
|
|
198 10F-2 -0.00008 0.00003 0.00023 0.00015 0.00106
|
|
199 10F+3 0.00002 0.00017 0.00001 -0.00004 -0.00007
|
|
200 10F-3 0.00011 0.00005 -0.00009 0.00002 -0.00033
|
|
201 6 H 1S 0.03768 0.04078 0.00313 -0.02546 0.00294
|
|
202 2S 0.09849 0.10908 0.01031 -0.07278 -0.03751
|
|
203 3S 0.13142 0.15687 0.06756 -0.08770 -0.80195
|
|
204 4S 0.03030 0.04345 0.00667 -0.02317 -0.62025
|
|
205 5PX -0.00303 -0.00365 -0.00063 0.00107 -0.00311
|
|
206 5PY 0.00164 -0.00019 -0.00055 -0.00168 0.00021
|
|
207 5PZ 0.00063 0.00068 -0.00213 -0.00197 0.00033
|
|
208 6PX -0.00915 -0.01357 -0.00915 0.00269 0.03961
|
|
209 6PY 0.00675 -0.00187 -0.00218 -0.00421 -0.01184
|
|
210 6PZ 0.00113 0.00260 -0.00591 -0.00649 -0.00486
|
|
211 7PX -0.00952 -0.01579 -0.02006 -0.00691 0.32511
|
|
212 7PY 0.00543 -0.00393 0.00341 0.00610 -0.10761
|
|
213 7PZ 0.00447 0.00612 -0.00973 -0.00917 -0.11869
|
|
214 8D 0 -0.00062 -0.00047 -0.00052 0.00011 -0.00112
|
|
215 8D+1 -0.00018 -0.00035 0.00059 0.00077 -0.00058
|
|
216 8D-1 0.00014 -0.00006 -0.00035 -0.00058 0.00092
|
|
217 8D+2 0.00049 0.00126 0.00057 0.00010 -0.00086
|
|
218 8D-2 -0.00086 -0.00005 0.00006 0.00094 -0.00027
|
|
219 9D 0 -0.00151 -0.00130 -0.00226 -0.00143 0.02119
|
|
220 9D+1 -0.00106 -0.00216 0.00192 0.00186 0.02167
|
|
221 9D-1 0.00094 -0.00007 0.00015 0.00023 -0.01083
|
|
222 9D+2 0.00131 0.00421 0.00415 -0.00031 -0.02333
|
|
223 9D-2 -0.00274 -0.00022 -0.00028 -0.00094 0.02273
|
|
224 10F 0 -0.00019 -0.00014 0.00009 0.00017 0.00170
|
|
225 10F+1 0.00027 0.00012 0.00053 0.00027 -0.00008
|
|
226 10F-1 -0.00010 -0.00008 0.00002 -0.00007 0.00050
|
|
227 10F+2 0.00002 0.00025 -0.00021 -0.00018 -0.00144
|
|
228 10F-2 -0.00018 -0.00002 0.00016 0.00021 0.00189
|
|
229 10F+3 -0.00009 -0.00051 -0.00040 -0.00024 0.00057
|
|
230 10F-3 0.00044 0.00016 0.00015 -0.00009 -0.00112
|
|
11 12 13 14 15
|
|
V V V V V
|
|
Eigenvalues -- 0.14265 0.17811 0.18087 0.34985 0.38299
|
|
1 1 N 1S -0.02726 0.00720 0.00574 -0.02908 0.00072
|
|
2 2S 0.04709 -0.01239 -0.01090 0.04778 0.00192
|
|
3 3S 0.00994 0.00237 -0.00827 0.02597 0.06756
|
|
4 4S 0.40384 -0.10400 -0.08625 0.00487 -0.39042
|
|
5 5S 3.04474 -0.94706 -0.59620 3.61128 -0.80142
|
|
6 6PX -0.01744 -0.02858 0.02820 0.01657 0.00564
|
|
7 6PY -0.00376 0.00259 -0.00299 -0.06436 0.01603
|
|
8 6PZ 0.01118 -0.02341 0.02916 -0.01834 -0.00177
|
|
9 7PX -0.02157 -0.05470 0.04532 0.01837 -0.02111
|
|
10 7PY -0.00374 -0.00454 -0.00288 -0.04350 0.02087
|
|
11 7PZ 0.01226 -0.03645 0.04882 -0.02493 -0.01787
|
|
12 8PX -0.27158 -0.21103 0.17853 0.07340 0.84000
|
|
13 8PY 0.06964 0.02025 -0.05375 -0.76261 0.11101
|
|
14 8PZ 0.15865 -0.30650 0.08609 -0.18710 0.53466
|
|
15 9PX -0.63813 -0.79861 0.82182 -0.01014 2.35491
|
|
16 9PY 0.20952 0.08930 -0.02339 -3.53741 -0.46889
|
|
17 9PZ 0.43023 -1.09560 0.51047 -0.28997 1.05950
|
|
18 10D 0 0.00074 -0.00090 0.00155 0.00443 -0.00957
|
|
19 10D+1 -0.00034 0.00030 0.00046 0.00238 0.00109
|
|
20 10D-1 -0.00001 -0.00018 0.00021 -0.00093 -0.00429
|
|
21 10D+2 0.00090 -0.00015 -0.00029 0.00701 0.00661
|
|
22 10D-2 0.00052 0.00008 0.00028 0.00088 -0.00495
|
|
23 11D 0 0.00133 -0.00842 -0.01292 -0.00574 0.05442
|
|
24 11D+1 0.00113 -0.00337 -0.00393 -0.00099 -0.00787
|
|
25 11D-1 0.00144 -0.00529 -0.01227 0.00021 0.02602
|
|
26 11D+2 0.00923 0.00212 0.00421 0.00458 -0.02404
|
|
27 11D-2 -0.00057 0.00478 -0.00075 -0.00661 0.04664
|
|
28 12D 0 0.00156 -0.12946 0.08603 -0.31150 0.43555
|
|
29 12D+1 0.06845 -0.02660 -0.00808 -0.04272 -0.00791
|
|
30 12D-1 0.09994 -0.00366 0.02630 -0.17879 0.12540
|
|
31 12D+2 0.05398 0.10835 -0.07070 -0.43607 -0.41128
|
|
32 12D-2 -0.05783 -0.00547 0.05049 0.00885 0.07083
|
|
33 13F 0 -0.00057 -0.00054 -0.00047 0.00280 -0.00181
|
|
34 13F+1 -0.00027 -0.00016 -0.00005 0.00056 0.00092
|
|
35 13F-1 -0.00121 -0.00062 -0.00103 -0.00277 -0.00257
|
|
36 13F+2 -0.00052 -0.00040 -0.00010 0.00174 0.00066
|
|
37 13F-2 -0.00001 -0.00002 -0.00012 0.00102 -0.00016
|
|
38 13F+3 0.00022 0.00019 -0.00081 -0.00139 0.00149
|
|
39 13F-3 -0.00085 0.00115 0.00149 -0.00503 -0.00335
|
|
40 14F 0 0.01725 -0.01000 -0.00126 -0.02917 0.02793
|
|
41 14F+1 0.01235 -0.00283 -0.00770 -0.01299 -0.03240
|
|
42 14F-1 0.01643 -0.00072 0.00372 0.02549 0.05897
|
|
43 14F+2 -0.00395 -0.00208 -0.00537 -0.00624 0.01261
|
|
44 14F-2 0.00482 -0.00285 -0.00131 -0.00979 0.00339
|
|
45 14F+3 -0.00860 -0.00497 0.00836 0.00704 0.04719
|
|
46 14F-3 0.01604 -0.01593 -0.01088 0.05562 -0.03094
|
|
47 15G 0 0.00220 -0.00173 -0.00069 0.00039 0.00111
|
|
48 15G+1 -0.00052 -0.00074 -0.00086 -0.00054 0.00589
|
|
49 15G-1 0.00156 -0.00078 0.00079 -0.00107 0.00573
|
|
50 15G+2 -0.00088 -0.00147 0.00020 0.00586 0.00494
|
|
51 15G-2 0.00115 -0.00010 -0.00151 -0.00146 -0.00047
|
|
52 15G+3 0.00024 -0.00012 0.00042 -0.00097 -0.00383
|
|
53 15G-3 -0.00112 0.00055 -0.00063 0.00170 -0.00095
|
|
54 15G+4 0.00175 0.00016 -0.00026 0.00465 -0.00646
|
|
55 15G-4 -0.00149 0.00035 0.00027 0.00087 0.00615
|
|
56 2 N 1S 0.02726 -0.00720 0.00574 0.02908 0.00072
|
|
57 2S -0.04709 0.01239 -0.01090 -0.04778 0.00192
|
|
58 3S -0.00994 -0.00237 -0.00827 -0.02597 0.06756
|
|
59 4S -0.40384 0.10400 -0.08625 -0.00487 -0.39042
|
|
60 5S -3.04474 0.94706 -0.59620 -3.61128 -0.80142
|
|
61 6PX -0.01744 -0.02858 -0.02820 0.01657 -0.00564
|
|
62 6PY -0.00376 0.00259 0.00299 -0.06436 -0.01603
|
|
63 6PZ -0.01118 0.02341 0.02916 0.01834 -0.00177
|
|
64 7PX -0.02157 -0.05470 -0.04532 0.01837 0.02111
|
|
65 7PY -0.00374 -0.00454 0.00288 -0.04350 -0.02087
|
|
66 7PZ -0.01226 0.03645 0.04882 0.02493 -0.01787
|
|
67 8PX -0.27158 -0.21103 -0.17853 0.07340 -0.84000
|
|
68 8PY 0.06964 0.02025 0.05375 -0.76261 -0.11101
|
|
69 8PZ -0.15865 0.30650 0.08609 0.18710 0.53466
|
|
70 9PX -0.63813 -0.79861 -0.82182 -0.01014 -2.35491
|
|
71 9PY 0.20952 0.08930 0.02339 -3.53741 0.46889
|
|
72 9PZ -0.43023 1.09560 0.51047 0.28997 1.05950
|
|
73 10D 0 -0.00074 0.00090 0.00155 -0.00443 -0.00957
|
|
74 10D+1 -0.00034 0.00030 -0.00046 0.00238 -0.00109
|
|
75 10D-1 -0.00001 -0.00018 -0.00021 -0.00093 0.00429
|
|
76 10D+2 -0.00090 0.00015 -0.00029 -0.00701 0.00661
|
|
77 10D-2 -0.00052 -0.00008 0.00028 -0.00088 -0.00495
|
|
78 11D 0 -0.00133 0.00842 -0.01292 0.00574 0.05442
|
|
79 11D+1 0.00113 -0.00337 0.00393 -0.00099 0.00787
|
|
80 11D-1 0.00144 -0.00529 0.01227 0.00021 -0.02602
|
|
81 11D+2 -0.00923 -0.00212 0.00421 -0.00458 -0.02404
|
|
82 11D-2 0.00057 -0.00478 -0.00075 0.00661 0.04664
|
|
83 12D 0 -0.00156 0.12946 0.08603 0.31150 0.43555
|
|
84 12D+1 0.06845 -0.02660 0.00808 -0.04272 0.00791
|
|
85 12D-1 0.09994 -0.00366 -0.02630 -0.17879 -0.12540
|
|
86 12D+2 -0.05398 -0.10835 -0.07070 0.43607 -0.41128
|
|
87 12D-2 0.05783 0.00547 0.05049 -0.00885 0.07083
|
|
88 13F 0 0.00057 0.00054 -0.00047 -0.00280 -0.00181
|
|
89 13F+1 -0.00027 -0.00016 0.00005 0.00056 -0.00092
|
|
90 13F-1 -0.00121 -0.00062 0.00103 -0.00277 0.00257
|
|
91 13F+2 0.00052 0.00040 -0.00010 -0.00174 0.00066
|
|
92 13F-2 0.00001 0.00002 -0.00012 -0.00102 -0.00016
|
|
93 13F+3 0.00022 0.00019 0.00081 -0.00139 -0.00149
|
|
94 13F-3 -0.00085 0.00115 -0.00149 -0.00503 0.00335
|
|
95 14F 0 -0.01725 0.01000 -0.00126 0.02917 0.02793
|
|
96 14F+1 0.01235 -0.00283 0.00770 -0.01299 0.03240
|
|
97 14F-1 0.01643 -0.00072 -0.00372 0.02549 -0.05897
|
|
98 14F+2 0.00395 0.00208 -0.00537 0.00624 0.01261
|
|
99 14F-2 -0.00482 0.00285 -0.00131 0.00979 0.00339
|
|
100 14F+3 -0.00860 -0.00497 -0.00836 0.00704 -0.04719
|
|
101 14F-3 0.01604 -0.01593 0.01088 0.05562 0.03094
|
|
102 15G 0 -0.00220 0.00173 -0.00069 -0.00039 0.00111
|
|
103 15G+1 -0.00052 -0.00074 0.00086 -0.00054 -0.00589
|
|
104 15G-1 0.00156 -0.00078 -0.00079 -0.00107 -0.00573
|
|
105 15G+2 0.00088 0.00147 0.00020 -0.00586 0.00494
|
|
106 15G-2 -0.00115 0.00010 -0.00151 0.00146 -0.00047
|
|
107 15G+3 0.00024 -0.00012 -0.00042 -0.00097 0.00383
|
|
108 15G-3 -0.00112 0.00055 0.00063 0.00170 0.00095
|
|
109 15G+4 -0.00175 -0.00016 -0.00026 -0.00465 -0.00646
|
|
110 15G-4 0.00149 -0.00035 0.00027 -0.00087 0.00615
|
|
111 3 H 1S 0.00173 -0.00493 0.00091 -0.00316 -0.00894
|
|
112 2S -0.03879 0.00778 -0.03187 0.08310 -0.11624
|
|
113 3S -0.70517 0.77225 -0.03680 0.48935 -1.77253
|
|
114 4S -0.99752 2.03281 -1.30511 1.11584 -0.08544
|
|
115 5PX 0.00180 0.00150 -0.00018 0.00566 -0.00380
|
|
116 5PY -0.00085 0.00079 0.00093 0.00028 -0.00314
|
|
117 5PZ 0.00000 -0.00020 0.00358 0.00179 -0.01393
|
|
118 6PX -0.00718 -0.00618 0.00406 -0.02536 0.06602
|
|
119 6PY 0.00452 -0.00019 -0.01405 -0.04141 0.04152
|
|
120 6PZ 0.01326 0.00481 -0.03526 -0.02715 0.14313
|
|
121 7PX 0.14804 -0.08211 0.01751 0.00622 0.06802
|
|
122 7PY 0.07214 -0.24066 0.02902 -0.00792 0.37339
|
|
123 7PZ 0.29092 -0.39978 0.10681 -0.22237 0.28800
|
|
124 8D 0 0.00151 -0.00191 0.00193 0.00012 -0.00641
|
|
125 8D+1 0.00069 -0.00180 0.00089 0.00041 -0.00217
|
|
126 8D-1 -0.00035 -0.00319 0.00177 0.00064 -0.00315
|
|
127 8D+2 0.00015 0.00099 0.00026 -0.00091 -0.00585
|
|
128 8D-2 0.00136 -0.00042 0.00027 0.00137 0.00065
|
|
129 9D 0 -0.02278 0.02187 0.00195 0.01243 -0.01769
|
|
130 9D+1 -0.01753 0.02002 -0.00780 0.00769 -0.03780
|
|
131 9D-1 -0.01194 0.04430 0.00520 0.02003 -0.04602
|
|
132 9D+2 -0.00233 -0.01291 -0.00502 0.00552 0.04126
|
|
133 9D-2 -0.01173 0.01059 -0.00167 0.00039 -0.02581
|
|
134 10F 0 -0.00034 0.00103 -0.00146 0.00051 -0.00174
|
|
135 10F+1 0.00166 -0.00053 0.00019 0.00007 0.00280
|
|
136 10F-1 0.00072 -0.00311 -0.00228 0.00071 0.00358
|
|
137 10F+2 0.00048 0.00198 0.00104 -0.00042 -0.00154
|
|
138 10F-2 0.00168 -0.00184 -0.00055 -0.00039 0.00266
|
|
139 10F+3 -0.00087 0.00093 0.00004 -0.00060 -0.00204
|
|
140 10F-3 0.00079 0.00082 0.00005 -0.00001 -0.00119
|
|
141 4 H 1S 0.00166 0.00349 -0.00351 0.00484 0.00805
|
|
142 2S -0.04077 -0.00053 0.03535 0.06643 0.15353
|
|
143 3S -0.93503 -0.38355 0.42708 0.11307 2.99280
|
|
144 4S -1.42582 -1.58153 1.75058 0.46696 0.12165
|
|
145 5PX 0.00067 -0.00107 0.00281 -0.00074 -0.02149
|
|
146 5PY -0.00094 -0.00011 -0.00105 0.00107 0.01006
|
|
147 5PZ -0.00113 0.00137 -0.00038 -0.00350 -0.00644
|
|
148 6PX -0.01734 0.02239 -0.02359 0.00906 0.22545
|
|
149 6PY 0.00272 -0.00252 0.00886 -0.03735 -0.10634
|
|
150 6PZ 0.00432 -0.00596 0.00497 0.01030 0.07971
|
|
151 7PX -0.41220 -0.26084 0.28050 0.03361 0.57221
|
|
152 7PY 0.13058 0.15882 -0.09307 0.04477 -0.30999
|
|
153 7PZ -0.13568 -0.04386 0.07471 -0.03507 0.20979
|
|
154 8D 0 -0.00092 -0.00169 0.00158 -0.00132 -0.00449
|
|
155 8D+1 0.00072 0.00208 -0.00125 -0.00001 0.00365
|
|
156 8D-1 0.00006 -0.00061 0.00037 -0.00185 0.00011
|
|
157 8D+2 0.00127 0.00124 -0.00203 0.00057 0.00674
|
|
158 8D-2 -0.00097 -0.00250 0.00223 -0.00022 -0.00301
|
|
159 9D 0 0.01962 0.01201 -0.00590 0.00573 -0.03779
|
|
160 9D+1 -0.01768 -0.01528 0.01765 -0.00192 0.05849
|
|
161 9D-1 0.00296 0.00720 -0.00613 0.00802 -0.03219
|
|
162 9D+2 -0.03052 -0.00406 0.01173 -0.00257 0.04291
|
|
163 9D-2 0.02257 0.02724 -0.00997 -0.01267 -0.08211
|
|
164 10F 0 0.00108 0.00061 -0.00062 0.00109 -0.00541
|
|
165 10F+1 0.00080 0.00016 0.00119 0.00043 -0.00218
|
|
166 10F-1 0.00034 -0.00121 -0.00035 0.00006 0.00136
|
|
167 10F+2 -0.00139 0.00027 0.00064 -0.00020 0.00425
|
|
168 10F-2 0.00101 0.00061 -0.00076 0.00028 -0.00507
|
|
169 10F+3 -0.00074 0.00139 -0.00057 -0.00095 -0.00222
|
|
170 10F-3 0.00183 0.00158 0.00095 0.00165 -0.00765
|
|
171 5 H 1S -0.00173 0.00493 0.00091 0.00316 -0.00894
|
|
172 2S 0.03879 -0.00778 -0.03187 -0.08310 -0.11624
|
|
173 3S 0.70517 -0.77225 -0.03680 -0.48935 -1.77253
|
|
174 4S 0.99752 -2.03281 -1.30511 -1.11584 -0.08544
|
|
175 5PX 0.00180 0.00150 0.00018 0.00566 0.00380
|
|
176 5PY -0.00085 0.00079 -0.00093 0.00028 0.00314
|
|
177 5PZ 0.00000 0.00020 0.00358 -0.00179 -0.01393
|
|
178 6PX -0.00718 -0.00618 -0.00406 -0.02536 -0.06602
|
|
179 6PY 0.00452 -0.00019 0.01405 -0.04141 -0.04152
|
|
180 6PZ -0.01326 -0.00481 -0.03526 0.02715 0.14313
|
|
181 7PX 0.14804 -0.08211 -0.01751 0.00622 -0.06802
|
|
182 7PY 0.07214 -0.24066 -0.02902 -0.00792 -0.37339
|
|
183 7PZ -0.29092 0.39978 0.10681 0.22237 0.28800
|
|
184 8D 0 -0.00151 0.00191 0.00193 -0.00012 -0.00641
|
|
185 8D+1 0.00069 -0.00180 -0.00089 0.00041 0.00217
|
|
186 8D-1 -0.00035 -0.00319 -0.00177 0.00064 0.00315
|
|
187 8D+2 -0.00015 -0.00099 0.00026 0.00091 -0.00585
|
|
188 8D-2 -0.00136 0.00042 0.00027 -0.00137 0.00065
|
|
189 9D 0 0.02278 -0.02187 0.00195 -0.01243 -0.01769
|
|
190 9D+1 -0.01753 0.02002 0.00780 0.00769 0.03780
|
|
191 9D-1 -0.01194 0.04430 -0.00520 0.02003 0.04602
|
|
192 9D+2 0.00233 0.01291 -0.00502 -0.00552 0.04126
|
|
193 9D-2 0.01173 -0.01059 -0.00167 -0.00039 -0.02581
|
|
194 10F 0 0.00034 -0.00103 -0.00146 -0.00051 -0.00174
|
|
195 10F+1 0.00166 -0.00053 -0.00019 0.00007 -0.00280
|
|
196 10F-1 0.00072 -0.00311 0.00228 0.00071 -0.00358
|
|
197 10F+2 -0.00048 -0.00198 0.00104 0.00042 -0.00154
|
|
198 10F-2 -0.00168 0.00184 -0.00055 0.00039 0.00266
|
|
199 10F+3 -0.00087 0.00093 -0.00004 -0.00060 0.00204
|
|
200 10F-3 0.00079 0.00082 -0.00005 -0.00001 0.00119
|
|
201 6 H 1S -0.00166 -0.00349 -0.00351 -0.00484 0.00805
|
|
202 2S 0.04077 0.00053 0.03535 -0.06643 0.15353
|
|
203 3S 0.93503 0.38355 0.42708 -0.11307 2.99280
|
|
204 4S 1.42582 1.58153 1.75058 -0.46696 0.12165
|
|
205 5PX 0.00067 -0.00107 -0.00281 -0.00074 0.02149
|
|
206 5PY -0.00094 -0.00011 0.00105 0.00107 -0.01006
|
|
207 5PZ 0.00113 -0.00137 -0.00038 0.00350 -0.00644
|
|
208 6PX -0.01734 0.02239 0.02359 0.00906 -0.22545
|
|
209 6PY 0.00272 -0.00252 -0.00886 -0.03735 0.10634
|
|
210 6PZ -0.00432 0.00596 0.00497 -0.01030 0.07971
|
|
211 7PX -0.41220 -0.26084 -0.28050 0.03361 -0.57221
|
|
212 7PY 0.13058 0.15882 0.09307 0.04477 0.30999
|
|
213 7PZ 0.13568 0.04386 0.07471 0.03507 0.20979
|
|
214 8D 0 0.00092 0.00169 0.00158 0.00132 -0.00449
|
|
215 8D+1 0.00072 0.00208 0.00125 -0.00001 -0.00365
|
|
216 8D-1 0.00006 -0.00061 -0.00037 -0.00185 -0.00011
|
|
217 8D+2 -0.00127 -0.00124 -0.00203 -0.00057 0.00674
|
|
218 8D-2 0.00097 0.00250 0.00223 0.00022 -0.00301
|
|
219 9D 0 -0.01962 -0.01201 -0.00590 -0.00573 -0.03779
|
|
220 9D+1 -0.01768 -0.01528 -0.01765 -0.00192 -0.05849
|
|
221 9D-1 0.00296 0.00720 0.00613 0.00802 0.03219
|
|
222 9D+2 0.03052 0.00406 0.01173 0.00257 0.04291
|
|
223 9D-2 -0.02257 -0.02724 -0.00997 0.01267 -0.08211
|
|
224 10F 0 -0.00108 -0.00061 -0.00062 -0.00109 -0.00541
|
|
225 10F+1 0.00080 0.00016 -0.00119 0.00043 0.00218
|
|
226 10F-1 0.00034 -0.00121 0.00035 0.00006 -0.00136
|
|
227 10F+2 0.00139 -0.00027 0.00064 0.00020 0.00425
|
|
228 10F-2 -0.00101 -0.00061 -0.00076 -0.00028 -0.00507
|
|
229 10F+3 -0.00074 0.00139 0.00057 -0.00095 0.00222
|
|
230 10F-3 0.00183 0.00158 -0.00095 0.00165 0.00765
|
|
16 17 18 19 20
|
|
V V V V V
|
|
Eigenvalues -- 0.40796 0.42500 0.45780 0.48262 0.49813
|
|
1 1 N 1S -0.01146 -0.00324 0.00857 -0.01851 0.03570
|
|
2 2S 0.00595 -0.00111 -0.01526 0.03427 -0.06889
|
|
3 3S -0.23815 -0.25547 -0.12629 0.06996 -0.11104
|
|
4 4S 1.45833 1.36209 0.87190 -0.06887 -0.05737
|
|
5 5S 2.97985 9.01153 3.70904 -2.07533 2.38035
|
|
6 6PX 0.01553 0.03115 0.05147 -0.02116 0.02258
|
|
7 6PY -0.02775 0.01863 0.00716 -0.00961 0.04148
|
|
8 6PZ -0.00405 -0.04145 -0.05690 -0.00944 -0.03627
|
|
9 7PX 0.00719 0.04852 0.07685 -0.01311 0.06268
|
|
10 7PY -0.04528 0.05368 -0.02270 -0.02704 0.08288
|
|
11 7PZ -0.02310 -0.06404 -0.07797 0.01205 -0.06413
|
|
12 8PX -0.08009 -0.64029 -0.10472 -0.49601 -0.38314
|
|
13 8PY 0.02061 0.47724 0.62597 -0.06118 0.08165
|
|
14 8PZ 0.63420 0.29764 0.33913 -0.62456 -0.28469
|
|
15 9PX -0.64016 -1.63936 -1.29797 -0.87180 -1.18918
|
|
16 9PY 1.49520 -1.20991 -0.21583 -0.00997 -0.00246
|
|
17 9PZ 1.16586 1.69734 1.41880 -2.37425 0.04313
|
|
18 10D 0 -0.00547 -0.00031 -0.00291 0.00814 0.00391
|
|
19 10D+1 -0.00394 -0.00839 -0.00347 -0.00081 0.00859
|
|
20 10D-1 -0.00157 -0.00258 -0.00100 0.00459 0.00313
|
|
21 10D+2 -0.00007 -0.00643 -0.00145 -0.00432 -0.00243
|
|
22 10D-2 -0.00091 0.00297 0.00165 0.00538 0.00034
|
|
23 11D 0 0.00710 0.00628 0.03991 -0.02911 -0.03569
|
|
24 11D+1 0.02988 0.05385 0.05279 -0.00687 -0.01066
|
|
25 11D-1 0.01510 0.03677 0.04050 -0.03820 -0.01725
|
|
26 11D+2 -0.02497 0.05586 0.04027 0.01621 -0.00408
|
|
27 11D-2 0.00303 -0.03825 -0.02151 -0.00145 -0.01154
|
|
28 12D 0 0.32549 0.01132 0.11742 -0.50434 -0.28839
|
|
29 12D+1 0.14756 0.35956 0.10493 -0.08494 -0.07306
|
|
30 12D-1 0.23914 -0.01666 0.21413 -0.20720 -0.02545
|
|
31 12D+2 0.25098 0.19862 0.08372 0.28837 -0.02012
|
|
32 12D-2 -0.14526 -0.21876 0.22568 -0.16396 -0.24019
|
|
33 13F 0 -0.00031 0.00339 0.00318 0.00215 0.00068
|
|
34 13F+1 0.00286 0.00020 0.00231 -0.00104 -0.00068
|
|
35 13F-1 0.00737 0.00388 -0.00266 0.00030 -0.00176
|
|
36 13F+2 -0.00057 -0.00011 0.00075 -0.00081 -0.00089
|
|
37 13F-2 0.00212 0.00264 0.00313 -0.00062 0.00343
|
|
38 13F+3 0.00168 -0.00293 -0.00537 0.00206 -0.00048
|
|
39 13F-3 0.00774 0.00094 -0.00115 0.00000 -0.00268
|
|
40 14F 0 0.06031 0.05376 0.02252 -0.05135 -0.02564
|
|
41 14F+1 0.03681 0.07083 0.03075 0.01565 -0.00401
|
|
42 14F-1 0.02098 0.01632 0.04887 -0.05784 -0.00831
|
|
43 14F+2 -0.01431 -0.04176 -0.01585 0.00275 0.00521
|
|
44 14F-2 0.00712 0.04437 0.00933 -0.00225 -0.03115
|
|
45 14F+3 -0.04581 -0.03067 0.00938 -0.02479 0.00197
|
|
46 14F-3 -0.01644 0.07772 0.01130 0.02573 0.05461
|
|
47 15G 0 0.00506 0.00402 0.00001 -0.00271 0.00166
|
|
48 15G+1 0.00492 -0.00125 -0.00014 -0.00473 -0.00357
|
|
49 15G-1 0.00714 0.00609 0.00140 -0.00642 -0.00153
|
|
50 15G+2 -0.00489 0.00087 -0.00320 -0.00316 -0.00063
|
|
51 15G-2 0.00323 0.00539 0.00097 0.00112 -0.00008
|
|
52 15G+3 0.00183 0.00124 -0.00201 0.00159 -0.00150
|
|
53 15G-3 0.00053 -0.00237 -0.00099 -0.00039 -0.00152
|
|
54 15G+4 0.00158 0.00267 0.00284 0.00116 0.00132
|
|
55 15G-4 0.00117 -0.00693 -0.00287 -0.00631 -0.00363
|
|
56 2 N 1S -0.01146 0.00324 0.00857 0.01851 -0.03570
|
|
57 2S 0.00595 0.00111 -0.01526 -0.03427 0.06889
|
|
58 3S -0.23815 0.25547 -0.12629 -0.06996 0.11104
|
|
59 4S 1.45833 -1.36209 0.87190 0.06887 0.05737
|
|
60 5S 2.97985 -9.01153 3.70904 2.07533 -2.38035
|
|
61 6PX -0.01553 0.03115 -0.05147 -0.02116 0.02258
|
|
62 6PY 0.02775 0.01863 -0.00716 -0.00961 0.04148
|
|
63 6PZ -0.00405 0.04145 -0.05690 0.00944 0.03627
|
|
64 7PX -0.00719 0.04852 -0.07685 -0.01311 0.06268
|
|
65 7PY 0.04528 0.05368 0.02270 -0.02704 0.08288
|
|
66 7PZ -0.02310 0.06404 -0.07797 -0.01205 0.06413
|
|
67 8PX 0.08009 -0.64029 0.10472 -0.49601 -0.38314
|
|
68 8PY -0.02061 0.47724 -0.62597 -0.06118 0.08165
|
|
69 8PZ 0.63420 -0.29764 0.33913 0.62456 0.28469
|
|
70 9PX 0.64016 -1.63936 1.29797 -0.87180 -1.18918
|
|
71 9PY -1.49520 -1.20991 0.21583 -0.00997 -0.00246
|
|
72 9PZ 1.16586 -1.69734 1.41880 2.37425 -0.04313
|
|
73 10D 0 -0.00547 0.00031 -0.00291 -0.00814 -0.00391
|
|
74 10D+1 0.00394 -0.00839 0.00347 -0.00081 0.00859
|
|
75 10D-1 0.00157 -0.00258 0.00100 0.00459 0.00313
|
|
76 10D+2 -0.00007 0.00643 -0.00145 0.00432 0.00243
|
|
77 10D-2 -0.00091 -0.00297 0.00165 -0.00538 -0.00034
|
|
78 11D 0 0.00710 -0.00628 0.03991 0.02911 0.03569
|
|
79 11D+1 -0.02988 0.05385 -0.05279 -0.00687 -0.01066
|
|
80 11D-1 -0.01510 0.03677 -0.04050 -0.03820 -0.01725
|
|
81 11D+2 -0.02497 -0.05586 0.04027 -0.01621 0.00408
|
|
82 11D-2 0.00303 0.03825 -0.02151 0.00145 0.01154
|
|
83 12D 0 0.32549 -0.01132 0.11742 0.50434 0.28839
|
|
84 12D+1 -0.14756 0.35956 -0.10493 -0.08494 -0.07306
|
|
85 12D-1 -0.23914 -0.01666 -0.21413 -0.20720 -0.02545
|
|
86 12D+2 0.25098 -0.19862 0.08372 -0.28837 0.02012
|
|
87 12D-2 -0.14526 0.21876 0.22568 0.16396 0.24019
|
|
88 13F 0 -0.00031 -0.00339 0.00318 -0.00215 -0.00068
|
|
89 13F+1 -0.00286 0.00020 -0.00231 -0.00104 -0.00068
|
|
90 13F-1 -0.00737 0.00388 0.00266 0.00030 -0.00176
|
|
91 13F+2 -0.00057 0.00011 0.00075 0.00081 0.00089
|
|
92 13F-2 0.00212 -0.00264 0.00313 0.00062 -0.00343
|
|
93 13F+3 -0.00168 -0.00293 0.00537 0.00206 -0.00048
|
|
94 13F-3 -0.00774 0.00094 0.00115 0.00000 -0.00268
|
|
95 14F 0 0.06031 -0.05376 0.02252 0.05135 0.02564
|
|
96 14F+1 -0.03681 0.07083 -0.03075 0.01565 -0.00401
|
|
97 14F-1 -0.02098 0.01632 -0.04887 -0.05784 -0.00831
|
|
98 14F+2 -0.01431 0.04176 -0.01585 -0.00275 -0.00521
|
|
99 14F-2 0.00712 -0.04437 0.00933 0.00225 0.03115
|
|
100 14F+3 0.04581 -0.03067 -0.00938 -0.02479 0.00197
|
|
101 14F-3 0.01644 0.07772 -0.01130 0.02573 0.05461
|
|
102 15G 0 0.00506 -0.00402 0.00001 0.00271 -0.00166
|
|
103 15G+1 -0.00492 -0.00125 0.00014 -0.00473 -0.00357
|
|
104 15G-1 -0.00714 0.00609 -0.00140 -0.00642 -0.00153
|
|
105 15G+2 -0.00489 -0.00087 -0.00320 0.00316 0.00063
|
|
106 15G-2 0.00323 -0.00539 0.00097 -0.00112 0.00008
|
|
107 15G+3 -0.00183 0.00124 0.00201 0.00159 -0.00150
|
|
108 15G-3 -0.00053 -0.00237 0.00099 -0.00039 -0.00152
|
|
109 15G+4 0.00158 -0.00267 0.00284 -0.00116 -0.00132
|
|
110 15G-4 0.00117 0.00693 -0.00287 0.00631 0.00363
|
|
111 3 H 1S -0.00983 -0.00405 0.01651 0.00484 0.02397
|
|
112 2S -0.14250 0.00218 0.02894 0.14989 0.11866
|
|
113 3S -2.89612 -3.17499 -2.43014 2.76696 0.75210
|
|
114 4S -0.24047 -0.08511 -0.97143 0.58917 -0.60897
|
|
115 5PX -0.00544 -0.00772 0.00109 -0.00001 0.01644
|
|
116 5PY -0.00857 -0.00244 0.00379 0.00918 0.01094
|
|
117 5PZ -0.02225 -0.01593 -0.00673 0.01287 0.01547
|
|
118 6PX 0.05738 0.03192 0.02210 -0.05016 -0.07113
|
|
119 6PY 0.11358 0.06856 -0.00236 -0.09290 -0.05878
|
|
120 6PZ 0.21636 0.17454 0.12865 -0.15986 -0.11221
|
|
121 7PX 0.28003 0.14252 0.37754 -0.27166 0.44947
|
|
122 7PY 0.37897 0.59753 0.66299 -0.29089 0.03851
|
|
123 7PZ 0.57039 0.81359 1.05608 -0.54689 0.10542
|
|
124 8D 0 -0.00627 -0.00327 -0.00038 0.00370 0.00486
|
|
125 8D+1 -0.00319 -0.00158 -0.00022 0.00376 0.00454
|
|
126 8D-1 -0.00384 0.00089 0.00438 0.00445 0.00191
|
|
127 8D+2 0.00393 0.00260 -0.00671 -0.00053 0.00112
|
|
128 8D-2 -0.00153 0.00197 0.00294 -0.00180 0.00525
|
|
129 9D 0 -0.05442 -0.09169 -0.11067 0.03859 0.02146
|
|
130 9D+1 -0.05024 -0.02900 -0.05455 0.04182 -0.03005
|
|
131 9D-1 -0.09289 -0.11740 -0.09506 0.05351 0.02689
|
|
132 9D+2 0.00294 0.01804 0.04057 -0.01133 -0.02689
|
|
133 9D-2 -0.02708 -0.02928 -0.04092 0.04548 -0.02304
|
|
134 10F 0 0.00030 0.00688 0.01029 0.00160 -0.00357
|
|
135 10F+1 0.00496 0.00294 0.00639 -0.00407 0.00362
|
|
136 10F-1 0.00890 0.01286 0.00891 -0.00334 -0.00251
|
|
137 10F+2 -0.00503 -0.00778 -0.00205 0.00190 0.00485
|
|
138 10F-2 0.00501 0.00440 0.00411 -0.00550 0.00105
|
|
139 10F+3 -0.00066 -0.00399 -0.00113 0.00303 -0.00057
|
|
140 10F-3 0.00183 -0.00155 0.00076 -0.00193 0.00232
|
|
141 4 H 1S -0.00255 -0.00410 0.00675 -0.02891 0.01789
|
|
142 2S -0.03682 -0.10060 0.08400 -0.20941 -0.03134
|
|
143 3S -1.45396 -3.99201 -1.70774 -1.63743 -1.29723
|
|
144 4S -0.09520 -0.75412 -0.17446 0.26259 -0.97424
|
|
145 5PX 0.00749 0.02249 0.00343 0.01825 -0.00046
|
|
146 5PY -0.00421 0.00084 0.00066 -0.01283 0.00519
|
|
147 5PZ 0.00456 0.00825 -0.00416 0.00817 -0.01359
|
|
148 6PX -0.08337 -0.26818 -0.07165 -0.15643 -0.05452
|
|
149 6PY 0.06863 0.04132 0.00558 0.06934 -0.01057
|
|
150 6PZ -0.01767 -0.05730 0.00909 -0.08219 0.01559
|
|
151 7PX -0.38508 -1.18318 -0.62454 0.00525 -0.59000
|
|
152 7PY 0.01865 0.51290 0.53820 -0.13352 0.13712
|
|
153 7PZ -0.15558 -0.16950 -0.34689 0.00585 -0.56601
|
|
154 8D 0 0.00648 0.00302 -0.00179 0.00309 -0.00007
|
|
155 8D+1 -0.00009 -0.00526 0.00225 -0.00320 0.00158
|
|
156 8D-1 -0.00041 0.00240 -0.00654 0.00059 -0.00358
|
|
157 8D+2 0.00381 -0.00215 -0.00495 -0.00632 0.00113
|
|
158 8D-2 0.00242 0.00066 -0.00628 0.00653 0.00214
|
|
159 9D 0 -0.00905 0.08712 0.05679 0.00297 0.00296
|
|
160 9D+1 -0.02943 -0.03326 -0.04672 -0.03604 -0.06858
|
|
161 9D-1 0.01451 0.00546 0.04890 0.01152 0.02774
|
|
162 9D+2 -0.05432 -0.14837 -0.03178 -0.01016 -0.05123
|
|
163 9D-2 0.04688 0.08536 0.08732 -0.01110 -0.00728
|
|
164 10F 0 0.00225 0.00285 0.00521 0.00255 0.00474
|
|
165 10F+1 0.00177 0.01228 0.00752 -0.00262 -0.00398
|
|
166 10F-1 0.00020 -0.00143 -0.00119 0.00207 0.00389
|
|
167 10F+2 -0.00275 -0.00464 -0.00186 -0.00221 -0.00673
|
|
168 10F-2 0.00321 0.00185 0.00388 0.00061 0.00172
|
|
169 10F+3 -0.00042 -0.01076 -0.00397 -0.00130 -0.00408
|
|
170 10F-3 0.00861 0.01068 0.00641 -0.00128 -0.00019
|
|
171 5 H 1S -0.00983 0.00405 0.01651 -0.00484 -0.02397
|
|
172 2S -0.14250 -0.00218 0.02894 -0.14989 -0.11866
|
|
173 3S -2.89612 3.17499 -2.43014 -2.76696 -0.75210
|
|
174 4S -0.24047 0.08511 -0.97143 -0.58917 0.60897
|
|
175 5PX 0.00544 -0.00772 -0.00109 -0.00001 0.01644
|
|
176 5PY 0.00857 -0.00244 -0.00379 0.00918 0.01094
|
|
177 5PZ -0.02225 0.01593 -0.00673 -0.01287 -0.01547
|
|
178 6PX -0.05738 0.03192 -0.02210 -0.05016 -0.07113
|
|
179 6PY -0.11358 0.06856 0.00236 -0.09290 -0.05878
|
|
180 6PZ 0.21636 -0.17454 0.12865 0.15986 0.11221
|
|
181 7PX -0.28003 0.14252 -0.37754 -0.27166 0.44947
|
|
182 7PY -0.37897 0.59753 -0.66299 -0.29089 0.03851
|
|
183 7PZ 0.57039 -0.81359 1.05608 0.54689 -0.10542
|
|
184 8D 0 -0.00627 0.00327 -0.00038 -0.00370 -0.00486
|
|
185 8D+1 0.00319 -0.00158 0.00022 0.00376 0.00454
|
|
186 8D-1 0.00384 0.00089 -0.00438 0.00445 0.00191
|
|
187 8D+2 0.00393 -0.00260 -0.00671 0.00053 -0.00112
|
|
188 8D-2 -0.00153 -0.00197 0.00294 0.00180 -0.00525
|
|
189 9D 0 -0.05442 0.09169 -0.11067 -0.03859 -0.02146
|
|
190 9D+1 0.05024 -0.02900 0.05455 0.04182 -0.03005
|
|
191 9D-1 0.09289 -0.11740 0.09506 0.05351 0.02689
|
|
192 9D+2 0.00294 -0.01804 0.04057 0.01133 0.02689
|
|
193 9D-2 -0.02708 0.02928 -0.04092 -0.04548 0.02304
|
|
194 10F 0 0.00030 -0.00688 0.01029 -0.00160 0.00357
|
|
195 10F+1 -0.00496 0.00294 -0.00639 -0.00407 0.00362
|
|
196 10F-1 -0.00890 0.01286 -0.00891 -0.00334 -0.00251
|
|
197 10F+2 -0.00503 0.00778 -0.00205 -0.00190 -0.00485
|
|
198 10F-2 0.00501 -0.00440 0.00411 0.00550 -0.00105
|
|
199 10F+3 0.00066 -0.00399 0.00113 0.00303 -0.00057
|
|
200 10F-3 -0.00183 -0.00155 -0.00076 -0.00193 0.00232
|
|
201 6 H 1S -0.00255 0.00410 0.00675 0.02891 -0.01789
|
|
202 2S -0.03682 0.10060 0.08400 0.20941 0.03134
|
|
203 3S -1.45396 3.99201 -1.70774 1.63743 1.29723
|
|
204 4S -0.09520 0.75412 -0.17446 -0.26259 0.97424
|
|
205 5PX -0.00749 0.02249 -0.00343 0.01825 -0.00046
|
|
206 5PY 0.00421 0.00084 -0.00066 -0.01283 0.00519
|
|
207 5PZ 0.00456 -0.00825 -0.00416 -0.00817 0.01359
|
|
208 6PX 0.08337 -0.26818 0.07165 -0.15643 -0.05452
|
|
209 6PY -0.06863 0.04132 -0.00558 0.06934 -0.01057
|
|
210 6PZ -0.01767 0.05730 0.00909 0.08219 -0.01559
|
|
211 7PX 0.38508 -1.18318 0.62454 0.00525 -0.59000
|
|
212 7PY -0.01865 0.51290 -0.53820 -0.13352 0.13712
|
|
213 7PZ -0.15558 0.16950 -0.34689 -0.00585 0.56601
|
|
214 8D 0 0.00648 -0.00302 -0.00179 -0.00309 0.00007
|
|
215 8D+1 0.00009 -0.00526 -0.00225 -0.00320 0.00158
|
|
216 8D-1 0.00041 0.00240 0.00654 0.00059 -0.00358
|
|
217 8D+2 0.00381 0.00215 -0.00495 0.00632 -0.00113
|
|
218 8D-2 0.00242 -0.00066 -0.00628 -0.00653 -0.00214
|
|
219 9D 0 -0.00905 -0.08712 0.05679 -0.00297 -0.00296
|
|
220 9D+1 0.02943 -0.03326 0.04672 -0.03604 -0.06858
|
|
221 9D-1 -0.01451 0.00546 -0.04890 0.01152 0.02774
|
|
222 9D+2 -0.05432 0.14837 -0.03178 0.01016 0.05123
|
|
223 9D-2 0.04688 -0.08536 0.08732 0.01110 0.00728
|
|
224 10F 0 0.00225 -0.00285 0.00521 -0.00255 -0.00474
|
|
225 10F+1 -0.00177 0.01228 -0.00752 -0.00262 -0.00398
|
|
226 10F-1 -0.00020 -0.00143 0.00119 0.00207 0.00389
|
|
227 10F+2 -0.00275 0.00464 -0.00186 0.00221 0.00673
|
|
228 10F-2 0.00321 -0.00185 0.00388 -0.00061 -0.00172
|
|
229 10F+3 0.00042 -0.01076 0.00397 -0.00130 -0.00408
|
|
230 10F-3 -0.00861 0.01068 -0.00641 -0.00128 -0.00019
|
|
21 22 23 24 25
|
|
V V V V V
|
|
Eigenvalues -- 0.53351 0.55834 0.57641 0.59557 0.60483
|
|
1 1 N 1S 0.03203 -0.00782 0.02252 0.01567 0.01098
|
|
2 2S -0.06195 0.01647 -0.04140 -0.03018 -0.02146
|
|
3 3S -0.13666 0.09156 -0.10101 -0.15809 -0.11853
|
|
4 4S 0.19749 -0.48288 0.12676 0.76505 0.26749
|
|
5 5S 2.47291 -1.76524 2.78329 3.56708 2.90541
|
|
6 6PX -0.03014 -0.04905 0.04455 -0.02405 -0.03824
|
|
7 6PY -0.04797 0.03690 -0.01059 -0.07292 0.01063
|
|
8 6PZ -0.00934 -0.04497 0.03936 -0.03597 -0.02900
|
|
9 7PX -0.04184 -0.12917 0.14776 -0.02185 -0.05447
|
|
10 7PY -0.08239 0.09350 -0.02212 -0.15732 -0.00033
|
|
11 7PZ -0.08874 -0.10746 0.05741 -0.11298 -0.09157
|
|
12 8PX -0.30460 0.85859 -0.60209 -0.03133 -0.15762
|
|
13 8PY -0.06208 -0.19028 0.21576 0.30014 0.51483
|
|
14 8PZ 0.38915 0.44378 0.09136 0.83021 0.50177
|
|
15 9PX 0.53980 2.31976 -1.55488 0.70682 0.68731
|
|
16 9PY 0.87160 -0.55474 0.82123 1.44338 0.91039
|
|
17 9PZ 0.58675 2.44664 -0.71493 1.60783 1.08295
|
|
18 10D 0 0.00127 -0.00283 -0.00019 -0.00216 0.00235
|
|
19 10D+1 0.00296 0.00277 0.00119 -0.00479 -0.00437
|
|
20 10D-1 0.00415 -0.00200 -0.00608 -0.00193 -0.00751
|
|
21 10D+2 -0.00190 0.00266 0.00042 0.00145 -0.00196
|
|
22 10D-2 -0.00135 0.00153 0.00108 0.00124 0.00012
|
|
23 11D 0 -0.01172 0.02981 -0.00283 0.05307 0.01808
|
|
24 11D+1 -0.00091 -0.01474 0.00696 0.03194 0.01720
|
|
25 11D-1 -0.00192 0.03086 -0.00685 0.02254 0.02065
|
|
26 11D+2 0.01223 -0.04968 0.02292 0.01444 0.02445
|
|
27 11D-2 0.01362 0.02662 -0.00903 0.01060 -0.00209
|
|
28 12D 0 0.22110 0.48193 -0.35555 0.50057 0.18870
|
|
29 12D+1 0.05765 -0.18318 -0.02895 0.30747 0.17324
|
|
30 12D-1 0.13956 -0.10215 -0.02352 0.41464 0.32887
|
|
31 12D+2 0.05490 -0.62494 0.28485 0.12693 -0.09069
|
|
32 12D-2 -0.37385 0.21391 -0.33751 0.07396 0.05628
|
|
33 13F 0 -0.00152 0.00102 0.00185 -0.00047 0.00368
|
|
34 13F+1 0.00170 0.00098 0.00161 0.00072 -0.00160
|
|
35 13F-1 0.00023 0.00217 -0.00099 0.00100 -0.00651
|
|
36 13F+2 -0.00065 0.00169 -0.00098 -0.00200 0.00090
|
|
37 13F-2 -0.00084 0.00157 0.00020 -0.00270 -0.00095
|
|
38 13F+3 0.00367 0.00056 0.00314 0.00083 -0.00105
|
|
39 13F-3 -0.00074 -0.00410 -0.00443 0.00124 -0.00261
|
|
40 14F 0 0.04020 0.00035 -0.02147 0.06601 -0.00041
|
|
41 14F+1 0.00423 -0.03685 0.02272 0.03448 0.04030
|
|
42 14F-1 0.00453 0.00318 -0.00048 0.04181 0.07474
|
|
43 14F+2 0.00710 0.01770 -0.00763 -0.00907 -0.04233
|
|
44 14F-2 -0.00554 -0.02317 0.00025 0.04444 0.03827
|
|
45 14F+3 -0.03501 0.06389 -0.04800 -0.01545 -0.01467
|
|
46 14F-3 0.02001 0.00416 0.04719 -0.00420 0.02706
|
|
47 15G 0 0.00847 0.00200 0.00271 0.00402 -0.00224
|
|
48 15G+1 0.00278 0.00553 -0.00077 0.00217 -0.00036
|
|
49 15G-1 0.00474 0.00200 0.00051 0.00689 0.00710
|
|
50 15G+2 -0.00254 0.00618 -0.00727 -0.00278 -0.00809
|
|
51 15G-2 0.00156 -0.00411 0.00458 0.00407 0.00603
|
|
52 15G+3 0.00132 -0.00216 0.00077 0.00099 -0.00084
|
|
53 15G-3 -0.00159 0.00238 0.00041 -0.00236 -0.00473
|
|
54 15G+4 -0.00087 -0.00462 0.00173 0.00072 0.00094
|
|
55 15G-4 0.00084 0.00361 -0.00479 -0.00169 -0.00422
|
|
56 2 N 1S 0.03203 0.00782 0.02252 -0.01567 0.01098
|
|
57 2S -0.06195 -0.01647 -0.04140 0.03018 -0.02146
|
|
58 3S -0.13666 -0.09156 -0.10101 0.15809 -0.11853
|
|
59 4S 0.19749 0.48288 0.12676 -0.76505 0.26749
|
|
60 5S 2.47291 1.76524 2.78329 -3.56708 2.90541
|
|
61 6PX 0.03014 -0.04905 -0.04455 -0.02405 0.03824
|
|
62 6PY 0.04797 0.03690 0.01059 -0.07292 -0.01063
|
|
63 6PZ -0.00934 0.04497 0.03936 0.03597 -0.02900
|
|
64 7PX 0.04184 -0.12917 -0.14776 -0.02185 0.05447
|
|
65 7PY 0.08239 0.09350 0.02212 -0.15732 0.00033
|
|
66 7PZ -0.08874 0.10746 0.05741 0.11298 -0.09157
|
|
67 8PX 0.30460 0.85859 0.60209 -0.03133 0.15762
|
|
68 8PY 0.06208 -0.19028 -0.21576 0.30014 -0.51483
|
|
69 8PZ 0.38915 -0.44378 0.09136 -0.83021 0.50177
|
|
70 9PX -0.53980 2.31976 1.55488 0.70682 -0.68731
|
|
71 9PY -0.87160 -0.55474 -0.82123 1.44338 -0.91039
|
|
72 9PZ 0.58675 -2.44664 -0.71493 -1.60783 1.08295
|
|
73 10D 0 0.00127 0.00283 -0.00019 0.00216 0.00235
|
|
74 10D+1 -0.00296 0.00277 -0.00119 -0.00479 0.00437
|
|
75 10D-1 -0.00415 -0.00200 0.00608 -0.00193 0.00751
|
|
76 10D+2 -0.00190 -0.00266 0.00042 -0.00145 -0.00196
|
|
77 10D-2 -0.00135 -0.00153 0.00108 -0.00124 0.00012
|
|
78 11D 0 -0.01172 -0.02981 -0.00283 -0.05307 0.01808
|
|
79 11D+1 0.00091 -0.01474 -0.00696 0.03194 -0.01720
|
|
80 11D-1 0.00192 0.03086 0.00685 0.02254 -0.02065
|
|
81 11D+2 0.01223 0.04968 0.02292 -0.01444 0.02445
|
|
82 11D-2 0.01362 -0.02662 -0.00903 -0.01060 -0.00209
|
|
83 12D 0 0.22110 -0.48193 -0.35555 -0.50057 0.18870
|
|
84 12D+1 -0.05765 -0.18318 0.02895 0.30747 -0.17324
|
|
85 12D-1 -0.13956 -0.10215 0.02352 0.41464 -0.32887
|
|
86 12D+2 0.05490 0.62494 0.28485 -0.12693 -0.09069
|
|
87 12D-2 -0.37385 -0.21391 -0.33751 -0.07396 0.05628
|
|
88 13F 0 -0.00152 -0.00102 0.00185 0.00047 0.00368
|
|
89 13F+1 -0.00170 0.00098 -0.00161 0.00072 0.00160
|
|
90 13F-1 -0.00023 0.00217 0.00099 0.00100 0.00651
|
|
91 13F+2 -0.00065 -0.00169 -0.00098 0.00200 0.00090
|
|
92 13F-2 -0.00084 -0.00157 0.00020 0.00270 -0.00095
|
|
93 13F+3 -0.00367 0.00056 -0.00314 0.00083 0.00105
|
|
94 13F-3 0.00074 -0.00410 0.00443 0.00124 0.00261
|
|
95 14F 0 0.04020 -0.00035 -0.02147 -0.06601 -0.00041
|
|
96 14F+1 -0.00423 -0.03685 -0.02272 0.03448 -0.04030
|
|
97 14F-1 -0.00453 0.00318 0.00048 0.04181 -0.07474
|
|
98 14F+2 0.00710 -0.01770 -0.00763 0.00907 -0.04233
|
|
99 14F-2 -0.00554 0.02317 0.00025 -0.04444 0.03827
|
|
100 14F+3 0.03501 0.06389 0.04800 -0.01545 0.01467
|
|
101 14F-3 -0.02001 0.00416 -0.04719 -0.00420 -0.02706
|
|
102 15G 0 0.00847 -0.00200 0.00271 -0.00402 -0.00224
|
|
103 15G+1 -0.00278 0.00553 0.00077 0.00217 0.00036
|
|
104 15G-1 -0.00474 0.00200 -0.00051 0.00689 -0.00710
|
|
105 15G+2 -0.00254 -0.00618 -0.00727 0.00278 -0.00809
|
|
106 15G-2 0.00156 0.00411 0.00458 -0.00407 0.00603
|
|
107 15G+3 -0.00132 -0.00216 -0.00077 0.00099 0.00084
|
|
108 15G-3 0.00159 0.00238 -0.00041 -0.00236 0.00473
|
|
109 15G+4 -0.00087 0.00462 0.00173 -0.00072 0.00094
|
|
110 15G-4 0.00084 -0.00361 -0.00479 0.00169 -0.00422
|
|
111 3 H 1S 0.04089 0.00727 -0.01455 0.03378 0.00498
|
|
112 2S -0.03373 0.02171 -0.00693 -0.11843 -0.17307
|
|
113 3S -0.71562 -1.45297 -0.01237 -3.07323 -2.31328
|
|
114 4S -1.11486 -1.20477 0.63558 -2.08598 -1.10994
|
|
115 5PX 0.00179 -0.00101 0.00484 -0.00651 -0.00909
|
|
116 5PY 0.00736 0.00005 -0.01456 -0.00355 -0.02128
|
|
117 5PZ 0.01500 -0.00343 -0.00192 0.00623 0.00684
|
|
118 6PX 0.02543 0.02357 -0.00904 0.06645 0.06158
|
|
119 6PY 0.01450 0.02988 0.04907 0.07433 0.11807
|
|
120 6PZ -0.00709 0.03536 0.01391 0.13934 0.11212
|
|
121 7PX 0.28107 0.22747 0.18921 0.21280 0.03634
|
|
122 7PY 0.45191 0.53237 -0.55764 0.53214 -0.37290
|
|
123 7PZ 0.65792 0.44083 -0.09976 1.75026 1.19111
|
|
124 8D 0 0.00075 -0.00159 -0.00118 0.00349 0.00110
|
|
125 8D+1 0.00166 0.00303 -0.00013 0.00027 -0.00013
|
|
126 8D-1 0.00218 0.00314 -0.00362 0.00160 -0.00338
|
|
127 8D+2 0.00080 -0.00104 0.00307 -0.00254 0.00318
|
|
128 8D-2 -0.00241 0.00132 -0.00329 -0.00215 -0.00331
|
|
129 9D 0 0.00916 0.00664 -0.01924 -0.14855 -0.13998
|
|
130 9D+1 -0.04274 -0.04359 -0.02253 -0.06074 -0.04623
|
|
131 9D-1 -0.05131 -0.07915 0.03382 -0.11675 -0.00262
|
|
132 9D+2 0.00444 0.02531 -0.03854 0.02811 -0.03624
|
|
133 9D-2 -0.00878 -0.02925 0.02077 -0.01790 0.02185
|
|
134 10F 0 -0.01035 -0.00587 0.00382 0.00494 0.01403
|
|
135 10F+1 0.00112 0.00130 0.00478 0.00382 0.00563
|
|
136 10F-1 -0.00037 0.00528 -0.00186 0.00881 -0.00290
|
|
137 10F+2 -0.00164 -0.00386 0.00593 -0.00336 0.00839
|
|
138 10F-2 0.00377 0.00360 0.00062 0.00519 -0.00431
|
|
139 10F+3 -0.00041 -0.00145 0.00223 -0.00177 0.00316
|
|
140 10F-3 0.00137 -0.00089 0.00253 -0.00109 0.00121
|
|
141 4 H 1S 0.01411 -0.03155 0.03710 0.00621 -0.01030
|
|
142 2S -0.03963 0.09354 -0.09265 -0.04342 -0.05948
|
|
143 3S -0.41298 3.34406 -1.91102 -0.32542 -0.60336
|
|
144 4S -0.18940 2.14627 -1.73134 0.11164 0.46174
|
|
145 5PX -0.00279 0.00137 -0.00987 -0.00494 0.01353
|
|
146 5PY -0.00110 0.00179 0.00288 -0.00733 -0.00403
|
|
147 5PZ -0.00438 -0.01006 0.00017 0.00368 0.00319
|
|
148 6PX -0.03170 0.14510 -0.07194 -0.02433 -0.10787
|
|
149 6PY 0.00903 -0.06581 0.02571 0.04094 0.03540
|
|
150 6PZ -0.00132 0.07888 -0.04882 -0.02234 -0.02516
|
|
151 7PX -0.44210 1.59911 -1.19830 -0.24405 0.14963
|
|
152 7PY -0.17726 -0.74776 0.22684 -0.12261 -0.10673
|
|
153 7PZ -0.25589 0.12418 -0.46633 0.17499 0.01678
|
|
154 8D 0 -0.00030 0.00238 -0.00224 -0.00055 0.00053
|
|
155 8D+1 0.00032 -0.00096 0.00284 -0.00412 -0.00300
|
|
156 8D-1 0.00013 -0.00169 0.00226 0.00555 0.00427
|
|
157 8D+2 0.00340 0.00077 0.00146 -0.00023 -0.00748
|
|
158 8D-2 0.00298 0.00290 0.00014 0.00006 0.00418
|
|
159 9D 0 0.00201 -0.09227 0.02650 0.02686 0.01921
|
|
160 9D+1 -0.03818 0.05481 -0.09237 0.02663 -0.00801
|
|
161 9D-1 0.00800 -0.01707 0.00788 -0.03038 -0.02032
|
|
162 9D+2 -0.05391 0.08129 -0.06578 -0.02661 -0.00039
|
|
163 9D-2 -0.00824 -0.13102 0.03634 0.01307 -0.00232
|
|
164 10F 0 0.00279 -0.00290 0.00381 -0.00127 0.00143
|
|
165 10F+1 -0.00396 -0.00596 -0.00592 0.00390 -0.00031
|
|
166 10F-1 0.00088 0.00346 0.00035 0.00022 -0.00088
|
|
167 10F+2 -0.00512 0.00027 -0.00602 0.00093 -0.00057
|
|
168 10F-2 0.00365 -0.00351 0.00399 -0.00006 0.00045
|
|
169 10F+3 -0.00147 -0.00109 0.00172 -0.00146 -0.00154
|
|
170 10F-3 0.00125 -0.01009 0.00005 0.00037 -0.00116
|
|
171 5 H 1S 0.04089 -0.00727 -0.01455 -0.03378 0.00498
|
|
172 2S -0.03373 -0.02171 -0.00693 0.11843 -0.17307
|
|
173 3S -0.71562 1.45297 -0.01237 3.07323 -2.31328
|
|
174 4S -1.11486 1.20477 0.63558 2.08598 -1.10994
|
|
175 5PX -0.00179 -0.00101 -0.00484 -0.00651 0.00909
|
|
176 5PY -0.00736 0.00005 0.01456 -0.00355 0.02128
|
|
177 5PZ 0.01500 0.00343 -0.00192 -0.00623 0.00684
|
|
178 6PX -0.02543 0.02357 0.00904 0.06645 -0.06158
|
|
179 6PY -0.01450 0.02988 -0.04907 0.07433 -0.11807
|
|
180 6PZ -0.00709 -0.03536 0.01391 -0.13934 0.11212
|
|
181 7PX -0.28107 0.22747 -0.18921 0.21280 -0.03634
|
|
182 7PY -0.45191 0.53237 0.55764 0.53214 0.37290
|
|
183 7PZ 0.65792 -0.44083 -0.09976 -1.75026 1.19111
|
|
184 8D 0 0.00075 0.00159 -0.00118 -0.00349 0.00110
|
|
185 8D+1 -0.00166 0.00303 0.00013 0.00027 0.00013
|
|
186 8D-1 -0.00218 0.00314 0.00362 0.00160 0.00338
|
|
187 8D+2 0.00080 0.00104 0.00307 0.00254 0.00318
|
|
188 8D-2 -0.00241 -0.00132 -0.00329 0.00215 -0.00331
|
|
189 9D 0 0.00916 -0.00664 -0.01924 0.14855 -0.13998
|
|
190 9D+1 0.04274 -0.04359 0.02253 -0.06074 0.04623
|
|
191 9D-1 0.05131 -0.07915 -0.03382 -0.11675 0.00262
|
|
192 9D+2 0.00444 -0.02531 -0.03854 -0.02811 -0.03624
|
|
193 9D-2 -0.00878 0.02925 0.02077 0.01790 0.02185
|
|
194 10F 0 -0.01035 0.00587 0.00382 -0.00494 0.01403
|
|
195 10F+1 -0.00112 0.00130 -0.00478 0.00382 -0.00563
|
|
196 10F-1 0.00037 0.00528 0.00186 0.00881 0.00290
|
|
197 10F+2 -0.00164 0.00386 0.00593 0.00336 0.00839
|
|
198 10F-2 0.00377 -0.00360 0.00062 -0.00519 -0.00431
|
|
199 10F+3 0.00041 -0.00145 -0.00223 -0.00177 -0.00316
|
|
200 10F-3 -0.00137 -0.00089 -0.00253 -0.00109 -0.00121
|
|
201 6 H 1S 0.01411 0.03155 0.03710 -0.00621 -0.01030
|
|
202 2S -0.03963 -0.09354 -0.09265 0.04342 -0.05948
|
|
203 3S -0.41298 -3.34406 -1.91102 0.32542 -0.60336
|
|
204 4S -0.18940 -2.14627 -1.73134 -0.11164 0.46174
|
|
205 5PX 0.00279 0.00137 0.00987 -0.00494 -0.01353
|
|
206 5PY 0.00110 0.00179 -0.00288 -0.00733 0.00403
|
|
207 5PZ -0.00438 0.01006 0.00017 -0.00368 0.00319
|
|
208 6PX 0.03170 0.14510 0.07194 -0.02433 0.10787
|
|
209 6PY -0.00903 -0.06581 -0.02571 0.04094 -0.03540
|
|
210 6PZ -0.00132 -0.07888 -0.04882 0.02234 -0.02516
|
|
211 7PX 0.44210 1.59911 1.19830 -0.24405 -0.14963
|
|
212 7PY 0.17726 -0.74776 -0.22684 -0.12261 0.10673
|
|
213 7PZ -0.25589 -0.12418 -0.46633 -0.17499 0.01678
|
|
214 8D 0 -0.00030 -0.00238 -0.00224 0.00055 0.00053
|
|
215 8D+1 -0.00032 -0.00096 -0.00284 -0.00412 0.00300
|
|
216 8D-1 -0.00013 -0.00169 -0.00226 0.00555 -0.00427
|
|
217 8D+2 0.00340 -0.00077 0.00146 0.00023 -0.00748
|
|
218 8D-2 0.00298 -0.00290 0.00014 -0.00006 0.00418
|
|
219 9D 0 0.00201 0.09227 0.02650 -0.02686 0.01921
|
|
220 9D+1 0.03818 0.05481 0.09237 0.02663 0.00801
|
|
221 9D-1 -0.00800 -0.01707 -0.00788 -0.03038 0.02032
|
|
222 9D+2 -0.05391 -0.08129 -0.06578 0.02661 -0.00039
|
|
223 9D-2 -0.00824 0.13102 0.03634 -0.01307 -0.00232
|
|
224 10F 0 0.00279 0.00290 0.00381 0.00127 0.00143
|
|
225 10F+1 0.00396 -0.00596 0.00592 0.00390 0.00031
|
|
226 10F-1 -0.00088 0.00346 -0.00035 0.00022 0.00088
|
|
227 10F+2 -0.00512 -0.00027 -0.00602 -0.00093 -0.00057
|
|
228 10F-2 0.00365 0.00351 0.00399 0.00006 0.00045
|
|
229 10F+3 0.00147 -0.00109 -0.00172 -0.00146 0.00154
|
|
230 10F-3 -0.00125 -0.01009 -0.00005 0.00037 0.00116
|
|
26 27 28 29 30
|
|
V V V V V
|
|
Eigenvalues -- 0.61585 0.64241 0.70741 0.85723 0.88866
|
|
1 1 N 1S -0.02602 0.01851 0.02129 0.01146 0.01316
|
|
2 2S 0.05365 -0.03316 -0.04433 -0.01969 -0.03129
|
|
3 3S 0.09362 -0.12894 -0.19041 -0.09609 -0.22012
|
|
4 4S 0.51406 0.27051 0.22280 -0.08138 -0.04479
|
|
5 5S -3.03356 3.12077 5.39777 3.71652 10.46228
|
|
6 6PX 0.02253 0.01431 -0.00428 -0.02960 -0.02036
|
|
7 6PY -0.05288 0.00210 0.04577 0.02163 -0.01480
|
|
8 6PZ -0.00239 0.00980 0.02077 0.00949 0.04000
|
|
9 7PX 0.04904 0.03675 0.01879 -0.01039 0.02078
|
|
10 7PY -0.23695 -0.02351 0.19078 -0.00148 0.04221
|
|
11 7PZ -0.00879 0.01750 0.00986 -0.00889 -0.00415
|
|
12 8PX -0.22655 -0.42722 -0.30563 -0.85266 -0.53724
|
|
13 8PY 0.82193 0.36914 -0.31533 0.50657 -0.22883
|
|
14 8PZ 0.12849 -0.03815 0.30919 0.17680 0.90164
|
|
15 9PX -0.52682 -0.49909 0.27129 -2.79432 -0.29338
|
|
16 9PY 3.59023 0.02551 -2.31545 0.43387 -2.04108
|
|
17 9PZ 1.62253 -0.32511 -0.44468 0.36146 2.45134
|
|
18 10D 0 -0.00247 -0.00064 -0.00122 0.00019 0.00043
|
|
19 10D+1 0.00258 -0.01013 -0.00436 -0.00023 0.00028
|
|
20 10D-1 -0.00187 0.00170 0.00033 -0.00128 -0.00573
|
|
21 10D+2 -0.00241 -0.00400 0.00475 -0.00177 0.00070
|
|
22 10D-2 0.00583 0.00166 0.01045 0.00671 0.00419
|
|
23 11D 0 0.00519 0.00343 -0.00248 0.00146 0.00780
|
|
24 11D+1 0.00380 0.03244 0.01499 0.01698 0.01636
|
|
25 11D-1 0.00853 0.00862 0.01141 0.00397 0.03413
|
|
26 11D+2 0.02986 0.05855 -0.01646 0.04736 0.01332
|
|
27 11D-2 -0.00590 -0.01553 -0.01755 -0.03722 -0.00415
|
|
28 12D 0 0.47702 -0.02058 -0.27984 0.05543 -0.15095
|
|
29 12D+1 -0.15607 0.69146 0.01162 -0.07744 0.24247
|
|
30 12D-1 -0.00436 -0.12607 -0.09561 0.02033 0.32436
|
|
31 12D+2 0.54573 0.29795 -0.70433 0.24779 -0.03828
|
|
32 12D-2 -0.27469 -0.13700 -0.07558 -0.49602 0.01829
|
|
33 13F 0 -0.00076 -0.00557 0.00213 -0.00443 0.00098
|
|
34 13F+1 0.00278 -0.00359 0.00613 0.00314 -0.00591
|
|
35 13F-1 0.00497 -0.00206 -0.00116 -0.00434 -0.00500
|
|
36 13F+2 -0.00008 0.00220 0.00141 0.00081 -0.00233
|
|
37 13F-2 0.00349 -0.00356 -0.00003 0.00388 -0.00092
|
|
38 13F+3 -0.00274 0.00104 -0.00313 0.00041 0.00406
|
|
39 13F-3 0.00155 -0.00482 -0.00681 -0.00825 -0.00294
|
|
40 14F 0 0.03028 0.08388 0.01192 0.08993 0.03061
|
|
41 14F+1 -0.00945 0.08197 -0.02143 -0.00209 0.13369
|
|
42 14F-1 -0.06722 0.00667 0.05841 0.02577 0.10067
|
|
43 14F+2 0.00614 -0.03311 -0.02528 -0.04561 0.02118
|
|
44 14F-2 -0.02441 0.07538 0.01759 -0.02241 0.02348
|
|
45 14F+3 0.03604 -0.03546 0.03625 -0.03644 -0.07019
|
|
46 14F-3 -0.02032 0.06140 0.12610 0.07920 0.09083
|
|
47 15G 0 0.00060 0.00231 0.00559 0.01082 0.01280
|
|
48 15G+1 0.00020 -0.00052 -0.00061 -0.00609 0.00868
|
|
49 15G-1 0.00377 0.00531 0.00438 0.00951 0.00752
|
|
50 15G+2 -0.00905 0.00456 0.00484 -0.00719 -0.00244
|
|
51 15G-2 0.00021 0.00734 0.00031 -0.00046 0.01257
|
|
52 15G+3 -0.00102 0.00166 -0.00083 0.00441 -0.00084
|
|
53 15G-3 -0.00328 -0.00556 -0.00182 -0.00743 0.00410
|
|
54 15G+4 -0.01308 0.00053 0.00656 0.00024 0.01403
|
|
55 15G-4 -0.00431 -0.00474 -0.00216 -0.00820 -0.00628
|
|
56 2 N 1S 0.02602 0.01851 -0.02129 0.01146 -0.01316
|
|
57 2S -0.05365 -0.03316 0.04433 -0.01969 0.03129
|
|
58 3S -0.09362 -0.12894 0.19041 -0.09609 0.22012
|
|
59 4S -0.51406 0.27051 -0.22280 -0.08138 0.04479
|
|
60 5S 3.03356 3.12077 -5.39777 3.71652 -10.46228
|
|
61 6PX 0.02253 -0.01431 -0.00428 0.02960 -0.02036
|
|
62 6PY -0.05288 -0.00210 0.04577 -0.02163 -0.01480
|
|
63 6PZ 0.00239 0.00980 -0.02077 0.00949 -0.04000
|
|
64 7PX 0.04904 -0.03675 0.01879 0.01039 0.02078
|
|
65 7PY -0.23695 0.02351 0.19078 0.00148 0.04221
|
|
66 7PZ 0.00879 0.01750 -0.00986 -0.00889 0.00415
|
|
67 8PX -0.22655 0.42722 -0.30563 0.85266 -0.53724
|
|
68 8PY 0.82193 -0.36914 -0.31533 -0.50657 -0.22883
|
|
69 8PZ -0.12849 -0.03815 -0.30919 0.17680 -0.90164
|
|
70 9PX -0.52682 0.49909 0.27129 2.79432 -0.29338
|
|
71 9PY 3.59023 -0.02551 -2.31545 -0.43387 -2.04108
|
|
72 9PZ -1.62253 -0.32511 0.44468 0.36146 -2.45134
|
|
73 10D 0 0.00247 -0.00064 0.00122 0.00019 -0.00043
|
|
74 10D+1 0.00258 0.01013 -0.00436 0.00023 0.00028
|
|
75 10D-1 -0.00187 -0.00170 0.00033 0.00128 -0.00573
|
|
76 10D+2 0.00241 -0.00400 -0.00475 -0.00177 -0.00070
|
|
77 10D-2 -0.00583 0.00166 -0.01045 0.00671 -0.00419
|
|
78 11D 0 -0.00519 0.00343 0.00248 0.00146 -0.00780
|
|
79 11D+1 0.00380 -0.03244 0.01499 -0.01698 0.01636
|
|
80 11D-1 0.00853 -0.00862 0.01141 -0.00397 0.03413
|
|
81 11D+2 -0.02986 0.05855 0.01646 0.04736 -0.01332
|
|
82 11D-2 0.00590 -0.01553 0.01755 -0.03722 0.00415
|
|
83 12D 0 -0.47702 -0.02058 0.27984 0.05543 0.15095
|
|
84 12D+1 -0.15607 -0.69146 0.01162 0.07744 0.24247
|
|
85 12D-1 -0.00436 0.12607 -0.09561 -0.02033 0.32436
|
|
86 12D+2 -0.54573 0.29795 0.70433 0.24779 0.03828
|
|
87 12D-2 0.27469 -0.13700 0.07558 -0.49602 -0.01829
|
|
88 13F 0 0.00076 -0.00557 -0.00213 -0.00443 -0.00098
|
|
89 13F+1 0.00278 0.00359 0.00613 -0.00314 -0.00591
|
|
90 13F-1 0.00497 0.00206 -0.00116 0.00434 -0.00500
|
|
91 13F+2 0.00008 0.00220 -0.00141 0.00081 0.00233
|
|
92 13F-2 -0.00349 -0.00356 0.00003 0.00388 0.00092
|
|
93 13F+3 -0.00274 -0.00104 -0.00313 -0.00041 0.00406
|
|
94 13F-3 0.00155 0.00482 -0.00681 0.00825 -0.00294
|
|
95 14F 0 -0.03028 0.08388 -0.01192 0.08993 -0.03061
|
|
96 14F+1 -0.00945 -0.08197 -0.02143 0.00209 0.13369
|
|
97 14F-1 -0.06722 -0.00667 0.05841 -0.02577 0.10067
|
|
98 14F+2 -0.00614 -0.03311 0.02528 -0.04561 -0.02118
|
|
99 14F-2 0.02441 0.07538 -0.01759 -0.02241 -0.02348
|
|
100 14F+3 0.03604 0.03546 0.03625 0.03644 -0.07019
|
|
101 14F-3 -0.02032 -0.06140 0.12610 -0.07920 0.09083
|
|
102 15G 0 -0.00060 0.00231 -0.00559 0.01082 -0.01280
|
|
103 15G+1 0.00020 0.00052 -0.00061 0.00609 0.00868
|
|
104 15G-1 0.00377 -0.00531 0.00438 -0.00951 0.00752
|
|
105 15G+2 0.00905 0.00456 -0.00484 -0.00719 0.00244
|
|
106 15G-2 -0.00021 0.00734 -0.00031 -0.00046 -0.01257
|
|
107 15G+3 -0.00102 -0.00166 -0.00083 -0.00441 -0.00084
|
|
108 15G-3 -0.00328 0.00556 -0.00182 0.00743 0.00410
|
|
109 15G+4 0.01308 0.00053 -0.00656 0.00024 -0.01403
|
|
110 15G-4 0.00431 -0.00474 0.00216 -0.00820 0.00628
|
|
111 3 H 1S -0.00674 -0.00047 -0.00201 -0.00511 -0.00011
|
|
112 2S -0.00934 -0.10415 0.01919 -0.02917 -0.13135
|
|
113 3S -1.27288 -0.81400 -0.68333 -1.15373 -3.58978
|
|
114 4S -0.55837 -0.01680 0.26995 -0.07752 -0.27032
|
|
115 5PX 0.00320 -0.00875 -0.00020 0.02330 -0.01255
|
|
116 5PY -0.00679 0.00412 0.00591 0.00248 -0.00172
|
|
117 5PZ -0.01354 0.00077 -0.01222 -0.01650 -0.01655
|
|
118 6PX 0.01691 0.02459 0.02683 -0.06271 0.07852
|
|
119 6PY 0.05000 0.03018 -0.01184 0.01463 0.07291
|
|
120 6PZ 0.06728 0.07705 0.07289 0.12018 0.23558
|
|
121 7PX 0.54445 -0.69455 0.16993 1.26411 -0.22062
|
|
122 7PY 0.00405 0.47409 0.28649 0.28896 0.34149
|
|
123 7PZ -0.10069 0.21817 0.07438 -0.32797 0.47646
|
|
124 8D 0 -0.00649 -0.00339 -0.00067 -0.00991 -0.00862
|
|
125 8D+1 0.00158 -0.00878 0.00094 0.00431 -0.00644
|
|
126 8D-1 -0.00021 -0.00016 -0.00105 -0.00312 -0.00993
|
|
127 8D+2 0.00229 -0.00590 -0.00506 -0.00123 0.00009
|
|
128 8D-2 0.00100 -0.00474 -0.00543 0.00030 -0.00403
|
|
129 9D 0 0.04663 -0.02749 -0.02142 0.07870 -0.05372
|
|
130 9D+1 -0.07285 0.09993 -0.05100 -0.13105 0.02605
|
|
131 9D-1 -0.01694 -0.06780 -0.03251 -0.01457 -0.04540
|
|
132 9D+2 -0.02786 0.08303 0.03012 -0.01173 0.02300
|
|
133 9D-2 -0.02777 0.03200 0.00796 -0.05224 0.02244
|
|
134 10F 0 -0.00595 0.00267 -0.00389 -0.01729 -0.00064
|
|
135 10F+1 0.00717 -0.01020 0.00487 0.01329 -0.00780
|
|
136 10F-1 -0.00296 0.00473 0.00459 -0.00496 0.00581
|
|
137 10F+2 0.00452 -0.01098 -0.00112 0.00969 -0.00720
|
|
138 10F-2 0.00396 -0.00324 0.00666 0.01293 -0.00162
|
|
139 10F+3 -0.00120 -0.00269 -0.00202 -0.00099 0.00050
|
|
140 10F-3 0.00314 -0.00576 0.00035 0.00115 -0.00067
|
|
141 4 H 1S 0.00169 0.00601 0.00094 -0.00480 0.00225
|
|
142 2S -0.04409 -0.19427 -0.01486 -0.11931 -0.10913
|
|
143 3S -0.81360 -2.17556 -0.57460 -3.45667 -2.31139
|
|
144 4S -0.54464 -0.78239 0.18961 -0.24860 -0.06714
|
|
145 5PX 0.00246 -0.00280 -0.01222 0.02170 0.00913
|
|
146 5PY -0.01300 -0.00900 -0.01954 -0.01338 -0.01110
|
|
147 5PZ -0.00406 0.01138 0.01445 0.01132 -0.03083
|
|
148 6PX -0.05853 -0.15229 -0.00308 -0.25113 -0.15270
|
|
149 6PY 0.03536 0.07169 0.07046 0.08168 0.09495
|
|
150 6PZ 0.00921 -0.04234 -0.06012 -0.07839 0.08414
|
|
151 7PX -0.44811 -1.12288 -0.68742 -0.48553 -0.34662
|
|
152 7PY -0.60490 0.18592 -0.60518 -0.26821 0.19750
|
|
153 7PZ -0.47198 0.57538 0.30477 -0.17367 -1.31126
|
|
154 8D 0 0.00423 -0.00298 -0.00155 0.00586 0.00462
|
|
155 8D+1 0.00361 -0.00701 -0.00026 -0.00254 0.00139
|
|
156 8D-1 -0.00217 0.00078 0.00332 0.00210 0.00192
|
|
157 8D+2 0.00216 -0.00291 0.00499 -0.01026 -0.00471
|
|
158 8D-2 0.00310 0.00007 0.00539 0.00687 0.00565
|
|
159 9D 0 -0.02590 0.11615 0.03931 0.01906 -0.01289
|
|
160 9D+1 -0.06765 0.06223 -0.00472 -0.03635 -0.12626
|
|
161 9D-1 -0.00180 -0.00636 -0.03422 -0.01430 0.04239
|
|
162 9D+2 -0.09554 -0.09989 -0.11245 -0.06338 0.00355
|
|
163 9D-2 -0.06806 0.05714 -0.04986 0.00493 0.03411
|
|
164 10F 0 0.00174 -0.00194 -0.00114 -0.00306 0.01283
|
|
165 10F+1 -0.00308 0.01302 0.00462 -0.00021 -0.01459
|
|
166 10F-1 0.00531 -0.00416 0.00155 -0.00076 0.00202
|
|
167 10F+2 -0.00931 0.00670 -0.00262 -0.00208 -0.01280
|
|
168 10F-2 -0.00461 -0.00218 -0.00526 -0.00370 0.01435
|
|
169 10F+3 -0.01582 -0.00809 -0.01552 -0.00553 0.00802
|
|
170 10F-3 -0.00885 0.00001 -0.00066 -0.00178 0.00064
|
|
171 5 H 1S 0.00674 -0.00047 0.00201 -0.00511 0.00011
|
|
172 2S 0.00934 -0.10415 -0.01919 -0.02917 0.13135
|
|
173 3S 1.27288 -0.81400 0.68333 -1.15373 3.58978
|
|
174 4S 0.55837 -0.01680 -0.26995 -0.07752 0.27032
|
|
175 5PX 0.00320 0.00875 -0.00020 -0.02330 -0.01255
|
|
176 5PY -0.00679 -0.00412 0.00591 -0.00248 -0.00172
|
|
177 5PZ 0.01354 0.00077 0.01222 -0.01650 0.01655
|
|
178 6PX 0.01691 -0.02459 0.02683 0.06271 0.07852
|
|
179 6PY 0.05000 -0.03018 -0.01184 -0.01463 0.07291
|
|
180 6PZ -0.06728 0.07705 -0.07289 0.12018 -0.23558
|
|
181 7PX 0.54445 0.69455 0.16993 -1.26411 -0.22062
|
|
182 7PY 0.00405 -0.47409 0.28649 -0.28896 0.34149
|
|
183 7PZ 0.10069 0.21817 -0.07438 -0.32797 -0.47646
|
|
184 8D 0 0.00649 -0.00339 0.00067 -0.00991 0.00862
|
|
185 8D+1 0.00158 0.00878 0.00094 -0.00431 -0.00644
|
|
186 8D-1 -0.00021 0.00016 -0.00105 0.00312 -0.00993
|
|
187 8D+2 -0.00229 -0.00590 0.00506 -0.00123 -0.00009
|
|
188 8D-2 -0.00100 -0.00474 0.00543 0.00030 0.00403
|
|
189 9D 0 -0.04663 -0.02749 0.02142 0.07870 0.05372
|
|
190 9D+1 -0.07285 -0.09993 -0.05100 0.13105 0.02605
|
|
191 9D-1 -0.01694 0.06780 -0.03251 0.01457 -0.04540
|
|
192 9D+2 0.02786 0.08303 -0.03012 -0.01173 -0.02300
|
|
193 9D-2 0.02777 0.03200 -0.00796 -0.05224 -0.02244
|
|
194 10F 0 0.00595 0.00267 0.00389 -0.01729 0.00064
|
|
195 10F+1 0.00717 0.01020 0.00487 -0.01329 -0.00780
|
|
196 10F-1 -0.00296 -0.00473 0.00459 0.00496 0.00581
|
|
197 10F+2 -0.00452 -0.01098 0.00112 0.00969 0.00720
|
|
198 10F-2 -0.00396 -0.00324 -0.00666 0.01293 0.00162
|
|
199 10F+3 -0.00120 0.00269 -0.00202 0.00099 0.00050
|
|
200 10F-3 0.00314 0.00576 0.00035 -0.00115 -0.00067
|
|
201 6 H 1S -0.00169 0.00601 -0.00094 -0.00480 -0.00225
|
|
202 2S 0.04409 -0.19427 0.01486 -0.11931 0.10913
|
|
203 3S 0.81360 -2.17556 0.57460 -3.45667 2.31139
|
|
204 4S 0.54464 -0.78239 -0.18961 -0.24860 0.06714
|
|
205 5PX 0.00246 0.00280 -0.01222 -0.02170 0.00913
|
|
206 5PY -0.01300 0.00900 -0.01954 0.01338 -0.01110
|
|
207 5PZ 0.00406 0.01138 -0.01445 0.01132 0.03083
|
|
208 6PX -0.05853 0.15229 -0.00308 0.25113 -0.15270
|
|
209 6PY 0.03536 -0.07169 0.07046 -0.08168 0.09495
|
|
210 6PZ -0.00921 -0.04234 0.06012 -0.07839 -0.08414
|
|
211 7PX -0.44811 1.12288 -0.68742 0.48553 -0.34662
|
|
212 7PY -0.60490 -0.18592 -0.60518 0.26821 0.19750
|
|
213 7PZ 0.47198 0.57538 -0.30477 -0.17367 1.31126
|
|
214 8D 0 -0.00423 -0.00298 0.00155 0.00586 -0.00462
|
|
215 8D+1 0.00361 0.00701 -0.00026 0.00254 0.00139
|
|
216 8D-1 -0.00217 -0.00078 0.00332 -0.00210 0.00192
|
|
217 8D+2 -0.00216 -0.00291 -0.00499 -0.01026 0.00471
|
|
218 8D-2 -0.00310 0.00007 -0.00539 0.00687 -0.00565
|
|
219 9D 0 0.02590 0.11615 -0.03931 0.01906 0.01289
|
|
220 9D+1 -0.06765 -0.06223 -0.00472 0.03635 -0.12626
|
|
221 9D-1 -0.00180 0.00636 -0.03422 0.01430 0.04239
|
|
222 9D+2 0.09554 -0.09989 0.11245 -0.06338 -0.00355
|
|
223 9D-2 0.06806 0.05714 0.04986 0.00493 -0.03411
|
|
224 10F 0 -0.00174 -0.00194 0.00114 -0.00306 -0.01283
|
|
225 10F+1 -0.00308 -0.01302 0.00462 0.00021 -0.01459
|
|
226 10F-1 0.00531 0.00416 0.00155 0.00076 0.00202
|
|
227 10F+2 0.00931 0.00670 0.00262 -0.00208 0.01280
|
|
228 10F-2 0.00461 -0.00218 0.00526 -0.00370 -0.01435
|
|
229 10F+3 -0.01582 0.00809 -0.01552 0.00553 0.00802
|
|
230 10F-3 -0.00885 -0.00001 -0.00066 0.00178 0.00064
|
|
31 32 33 34 35
|
|
V V V V V
|
|
Eigenvalues -- 0.89954 0.92986 1.01467 1.02658 1.07129
|
|
1 1 N 1S 0.00702 0.00132 0.00344 -0.02308 -0.00091
|
|
2 2S -0.00795 -0.01166 -0.01034 0.03179 0.00614
|
|
3 3S 0.07281 -0.22963 -0.10396 -0.09102 0.05576
|
|
4 4S -0.58257 0.82749 -0.27126 1.49946 -0.14147
|
|
5 5S -1.65067 6.96607 9.21304 -0.70650 -0.25936
|
|
6 6PX -0.00760 -0.00205 -0.03186 0.00213 0.01788
|
|
7 6PY -0.02028 0.02998 -0.04718 0.00891 0.00387
|
|
8 6PZ -0.00247 0.00826 0.02555 -0.02593 0.00902
|
|
9 7PX 0.03527 -0.00175 0.01493 -0.02243 0.09055
|
|
10 7PY -0.02776 0.05805 -0.00354 0.04162 0.01011
|
|
11 7PZ -0.00500 0.02671 0.01211 0.01796 0.07930
|
|
12 8PX 0.15421 -0.02577 -0.81854 -0.49796 0.28566
|
|
13 8PY -0.40700 0.46204 -0.61829 0.13947 -0.08783
|
|
14 8PZ -0.08176 0.76048 0.37505 -0.74473 0.03978
|
|
15 9PX 0.78832 -0.90975 -1.98121 -1.20225 -0.42888
|
|
16 9PY -0.98653 0.31649 -2.82318 1.21449 -0.36200
|
|
17 9PZ -0.71005 1.96175 -0.09200 -1.30769 -0.26432
|
|
18 10D 0 -0.00234 -0.00285 0.00097 0.00524 -0.00534
|
|
19 10D+1 -0.00050 -0.00016 0.00027 -0.00012 -0.00092
|
|
20 10D-1 -0.00021 -0.00903 -0.00045 -0.00218 -0.00821
|
|
21 10D+2 0.00014 0.00207 -0.00003 0.00127 0.00303
|
|
22 10D-2 -0.00321 0.00003 0.00019 0.00582 0.00224
|
|
23 11D 0 0.02249 0.04282 0.00228 -0.05432 -0.01824
|
|
24 11D+1 -0.00864 0.02717 -0.00551 0.01658 -0.00259
|
|
25 11D-1 0.00426 0.04976 -0.00283 -0.00289 0.00542
|
|
26 11D+2 -0.02386 -0.01963 0.01653 0.01480 0.00314
|
|
27 11D-2 0.01455 0.01363 0.00719 -0.03580 -0.00573
|
|
28 12D 0 0.20735 -0.12518 -0.06328 -0.32197 -0.70247
|
|
29 12D+1 0.24617 0.11633 0.02918 -0.06145 0.00755
|
|
30 12D-1 -0.04851 0.75271 0.02147 -0.30221 -0.48729
|
|
31 12D+2 -0.01173 -0.42624 0.14893 -0.09352 0.48173
|
|
32 12D-2 0.50955 -0.00350 -0.18619 -0.30816 -0.08885
|
|
33 13F 0 -0.00564 0.00482 -0.00650 0.00568 0.00224
|
|
34 13F+1 -0.00153 0.00368 -0.00119 0.01029 -0.00379
|
|
35 13F-1 -0.00243 -0.00566 -0.00231 0.00644 0.01241
|
|
36 13F+2 0.00515 0.00083 0.00198 -0.00130 -0.00063
|
|
37 13F-2 -0.00230 0.00243 0.00263 0.00139 -0.00033
|
|
38 13F+3 0.00220 0.00043 0.00349 -0.00864 0.00621
|
|
39 13F-3 0.00428 -0.00181 -0.00221 0.00793 -0.00841
|
|
40 14F 0 0.05511 -0.00889 0.10299 -0.03690 -0.06132
|
|
41 14F+1 -0.04154 0.00515 0.02071 -0.08803 0.05472
|
|
42 14F-1 0.03368 0.15357 0.04141 -0.05854 -0.13115
|
|
43 14F+2 -0.06246 -0.06458 -0.02905 -0.02404 0.04149
|
|
44 14F-2 0.00400 0.02456 -0.03681 0.01068 -0.00415
|
|
45 14F+3 -0.02142 -0.02224 -0.06237 0.05743 -0.06809
|
|
46 14F-3 -0.07079 0.04399 0.04175 0.00153 0.06866
|
|
47 15G 0 -0.00215 -0.00305 0.01563 -0.00760 0.00222
|
|
48 15G+1 -0.00779 -0.00351 -0.00295 -0.00939 -0.00532
|
|
49 15G-1 0.00143 0.01151 0.00259 -0.00495 -0.01562
|
|
50 15G+2 0.00131 -0.00616 -0.00021 0.00251 0.00359
|
|
51 15G-2 -0.00621 0.00582 -0.00463 -0.00630 0.00342
|
|
52 15G+3 0.00523 -0.00318 0.00891 0.00214 0.00217
|
|
53 15G-3 -0.00490 -0.00234 -0.00129 -0.00557 0.00485
|
|
54 15G+4 0.01016 0.00291 0.01442 -0.00896 0.00379
|
|
55 15G-4 0.00473 -0.00358 -0.00388 -0.00350 -0.00545
|
|
56 2 N 1S 0.00702 -0.00132 -0.00344 -0.02308 -0.00091
|
|
57 2S -0.00795 0.01166 0.01034 0.03179 0.00614
|
|
58 3S 0.07281 0.22963 0.10396 -0.09102 0.05576
|
|
59 4S -0.58257 -0.82749 0.27126 1.49946 -0.14147
|
|
60 5S -1.65067 -6.96607 -9.21304 -0.70650 -0.25936
|
|
61 6PX 0.00760 -0.00205 -0.03186 -0.00213 -0.01788
|
|
62 6PY 0.02028 0.02998 -0.04718 -0.00891 -0.00387
|
|
63 6PZ -0.00247 -0.00826 -0.02555 -0.02593 0.00902
|
|
64 7PX -0.03527 -0.00175 0.01493 0.02243 -0.09055
|
|
65 7PY 0.02776 0.05805 -0.00354 -0.04162 -0.01011
|
|
66 7PZ -0.00500 -0.02671 -0.01211 0.01796 0.07930
|
|
67 8PX -0.15421 -0.02577 -0.81854 0.49796 -0.28566
|
|
68 8PY 0.40700 0.46204 -0.61829 -0.13947 0.08783
|
|
69 8PZ -0.08176 -0.76048 -0.37505 -0.74473 0.03978
|
|
70 9PX -0.78832 -0.90975 -1.98121 1.20225 0.42888
|
|
71 9PY 0.98653 0.31649 -2.82318 -1.21449 0.36200
|
|
72 9PZ -0.71005 -1.96175 0.09200 -1.30769 -0.26432
|
|
73 10D 0 -0.00234 0.00285 -0.00097 0.00524 -0.00534
|
|
74 10D+1 0.00050 -0.00016 0.00027 0.00012 0.00092
|
|
75 10D-1 0.00021 -0.00903 -0.00045 0.00218 0.00821
|
|
76 10D+2 0.00014 -0.00207 0.00003 0.00127 0.00303
|
|
77 10D-2 -0.00321 -0.00003 -0.00019 0.00582 0.00224
|
|
78 11D 0 0.02249 -0.04282 -0.00228 -0.05432 -0.01824
|
|
79 11D+1 0.00864 0.02717 -0.00551 -0.01658 0.00259
|
|
80 11D-1 -0.00426 0.04976 -0.00283 0.00289 -0.00542
|
|
81 11D+2 -0.02386 0.01963 -0.01653 0.01480 0.00314
|
|
82 11D-2 0.01455 -0.01363 -0.00719 -0.03580 -0.00573
|
|
83 12D 0 0.20735 0.12518 0.06328 -0.32197 -0.70247
|
|
84 12D+1 -0.24617 0.11633 0.02918 0.06145 -0.00755
|
|
85 12D-1 0.04851 0.75271 0.02147 0.30221 0.48729
|
|
86 12D+2 -0.01173 0.42624 -0.14893 -0.09352 0.48173
|
|
87 12D-2 0.50955 0.00350 0.18619 -0.30816 -0.08885
|
|
88 13F 0 -0.00564 -0.00482 0.00650 0.00568 0.00224
|
|
89 13F+1 0.00153 0.00368 -0.00119 -0.01029 0.00379
|
|
90 13F-1 0.00243 -0.00566 -0.00231 -0.00644 -0.01241
|
|
91 13F+2 0.00515 -0.00083 -0.00198 -0.00130 -0.00063
|
|
92 13F-2 -0.00230 -0.00243 -0.00263 0.00139 -0.00033
|
|
93 13F+3 -0.00220 0.00043 0.00349 0.00864 -0.00621
|
|
94 13F-3 -0.00428 -0.00181 -0.00221 -0.00793 0.00841
|
|
95 14F 0 0.05511 0.00889 -0.10299 -0.03690 -0.06132
|
|
96 14F+1 0.04154 0.00515 0.02071 0.08803 -0.05472
|
|
97 14F-1 -0.03368 0.15357 0.04141 0.05854 0.13115
|
|
98 14F+2 -0.06246 0.06458 0.02905 -0.02404 0.04149
|
|
99 14F-2 0.00400 -0.02456 0.03681 0.01068 -0.00415
|
|
100 14F+3 0.02142 -0.02224 -0.06237 -0.05743 0.06809
|
|
101 14F-3 0.07079 0.04399 0.04175 -0.00153 -0.06866
|
|
102 15G 0 -0.00215 0.00305 -0.01563 -0.00760 0.00222
|
|
103 15G+1 0.00779 -0.00351 -0.00295 0.00939 0.00532
|
|
104 15G-1 -0.00143 0.01151 0.00259 0.00495 0.01562
|
|
105 15G+2 0.00131 0.00616 0.00021 0.00251 0.00359
|
|
106 15G-2 -0.00621 -0.00582 0.00463 -0.00630 0.00342
|
|
107 15G+3 -0.00523 -0.00318 0.00891 -0.00214 -0.00217
|
|
108 15G-3 0.00490 -0.00234 -0.00129 0.00557 -0.00485
|
|
109 15G+4 0.01016 -0.00291 -0.01442 -0.00896 0.00379
|
|
110 15G-4 0.00473 0.00358 0.00388 -0.00350 -0.00545
|
|
111 3 H 1S 0.00426 -0.00327 -0.00542 -0.00113 -0.03764
|
|
112 2S -0.06492 -0.07138 -0.05149 0.16097 0.16970
|
|
113 3S 0.67080 -4.21744 -1.16402 1.82217 0.51245
|
|
114 4S 0.11329 -0.32728 0.23878 0.15773 -0.58945
|
|
115 5PX 0.02264 0.00798 0.03244 0.01465 0.01190
|
|
116 5PY -0.00373 -0.03563 0.00809 -0.01372 0.00875
|
|
117 5PZ 0.00731 -0.00988 -0.01018 0.01380 0.02602
|
|
118 6PX -0.08278 0.01122 -0.11798 -0.07703 -0.12048
|
|
119 6PY 0.01468 0.16748 -0.00193 0.01804 -0.08034
|
|
120 6PZ -0.02715 0.20440 0.07046 -0.18272 -0.25971
|
|
121 7PX 0.33595 0.90175 1.32721 0.45289 0.06850
|
|
122 7PY -0.01663 -0.97913 0.63834 -0.82720 0.50608
|
|
123 7PZ 0.02840 1.61328 -0.15661 0.10686 0.94183
|
|
124 8D 0 0.00293 0.00063 -0.00221 0.01053 0.01569
|
|
125 8D+1 -0.00197 0.00255 0.00384 0.00609 0.00956
|
|
126 8D-1 0.00252 -0.01182 0.00046 0.00362 0.01114
|
|
127 8D+2 -0.00079 0.00158 0.00452 0.00382 0.00182
|
|
128 8D-2 0.00115 -0.00255 0.00104 -0.00274 0.00389
|
|
129 9D 0 0.00390 -0.21685 0.06057 -0.03079 -0.09569
|
|
130 9D+1 -0.01573 -0.13844 -0.09997 -0.04776 0.03199
|
|
131 9D-1 0.00756 0.04779 -0.06584 0.05232 -0.08772
|
|
132 9D+2 0.00691 -0.05883 -0.01599 -0.05083 0.02634
|
|
133 9D-2 -0.03309 0.00299 -0.05450 0.02632 -0.00196
|
|
134 10F 0 -0.00423 0.02413 -0.02313 0.01023 0.01299
|
|
135 10F+1 0.00926 0.01884 0.01178 0.01180 -0.00328
|
|
136 10F-1 -0.00631 0.00002 0.00200 0.00008 0.01876
|
|
137 10F+2 0.00474 0.01805 0.00089 0.00712 -0.00824
|
|
138 10F-2 0.00929 -0.00004 0.01685 0.00200 0.00240
|
|
139 10F+3 -0.00174 0.00336 -0.00397 -0.00127 0.00137
|
|
140 10F-3 0.00087 0.00400 0.00189 0.00363 -0.00491
|
|
141 4 H 1S 0.00726 -0.01022 -0.00411 0.01053 0.02412
|
|
142 2S -0.02623 0.01367 -0.11587 0.07980 -0.18723
|
|
143 3S 1.74195 -1.86329 -3.12679 -1.61747 -0.06762
|
|
144 4S 0.08235 -0.30405 -0.44531 -0.27574 0.59960
|
|
145 5PX -0.00853 0.01208 0.01458 0.00241 0.01406
|
|
146 5PY 0.02625 0.00000 0.01588 -0.02477 -0.00072
|
|
147 5PZ 0.01656 0.00350 0.01309 0.02563 0.00514
|
|
148 6PX 0.06380 -0.09406 -0.17444 -0.04015 -0.16446
|
|
149 6PY -0.08149 0.01765 -0.02484 0.09506 0.02360
|
|
150 6PZ -0.03430 -0.02022 -0.07910 -0.10568 -0.07438
|
|
151 7PX 0.71784 -0.07075 -0.19928 -1.29164 1.01025
|
|
152 7PY 1.02862 0.01873 1.06585 -0.78222 -0.02705
|
|
153 7PZ 1.19610 -0.18477 0.09936 0.66659 0.18937
|
|
154 8D 0 -0.00156 0.00064 0.00370 -0.00390 0.00452
|
|
155 8D+1 -0.00763 0.00140 -0.00402 -0.00038 -0.01143
|
|
156 8D-1 -0.00063 0.00286 0.00013 0.00267 -0.00071
|
|
157 8D+2 -0.00397 -0.00563 -0.00814 0.00524 -0.01334
|
|
158 8D-2 -0.00321 0.00446 0.00217 0.00438 0.00297
|
|
159 9D 0 0.01857 0.01357 0.01478 0.09206 -0.06338
|
|
160 9D+1 0.17804 -0.02288 -0.00189 0.01416 0.01793
|
|
161 9D-1 -0.01235 -0.02790 0.01679 -0.04395 0.02186
|
|
162 9D+2 0.12101 -0.00128 0.04020 -0.15986 0.11488
|
|
163 9D-2 0.07673 0.00195 0.09413 -0.02698 -0.02890
|
|
164 10F 0 -0.01414 0.00068 -0.00263 -0.00278 0.00098
|
|
165 10F+1 0.00878 0.00074 -0.00132 0.01959 -0.01093
|
|
166 10F-1 -0.00541 -0.00038 -0.00259 -0.00004 0.00816
|
|
167 10F+2 0.02137 0.00255 0.00478 0.00080 0.00265
|
|
168 10F-2 -0.00391 -0.00348 0.00424 -0.00979 0.00257
|
|
169 10F+3 0.01949 -0.00016 0.01789 -0.02288 0.01446
|
|
170 10F-3 0.00942 0.00177 0.01066 0.00471 -0.01110
|
|
171 5 H 1S 0.00426 0.00327 0.00542 -0.00113 -0.03764
|
|
172 2S -0.06492 0.07138 0.05149 0.16097 0.16970
|
|
173 3S 0.67080 4.21744 1.16402 1.82217 0.51245
|
|
174 4S 0.11329 0.32728 -0.23878 0.15773 -0.58945
|
|
175 5PX -0.02264 0.00798 0.03244 -0.01465 -0.01190
|
|
176 5PY 0.00373 -0.03563 0.00809 0.01372 -0.00875
|
|
177 5PZ 0.00731 0.00988 0.01018 0.01380 0.02602
|
|
178 6PX 0.08278 0.01122 -0.11798 0.07703 0.12048
|
|
179 6PY -0.01468 0.16748 -0.00193 -0.01804 0.08034
|
|
180 6PZ -0.02715 -0.20440 -0.07046 -0.18272 -0.25971
|
|
181 7PX -0.33595 0.90175 1.32721 -0.45289 -0.06850
|
|
182 7PY 0.01663 -0.97913 0.63834 0.82720 -0.50608
|
|
183 7PZ 0.02840 -1.61328 0.15661 0.10686 0.94183
|
|
184 8D 0 0.00293 -0.00063 0.00221 0.01053 0.01569
|
|
185 8D+1 0.00197 0.00255 0.00384 -0.00609 -0.00956
|
|
186 8D-1 -0.00252 -0.01182 0.00046 -0.00362 -0.01114
|
|
187 8D+2 -0.00079 -0.00158 -0.00452 0.00382 0.00182
|
|
188 8D-2 0.00115 0.00255 -0.00104 -0.00274 0.00389
|
|
189 9D 0 0.00390 0.21685 -0.06057 -0.03079 -0.09569
|
|
190 9D+1 0.01573 -0.13844 -0.09997 0.04776 -0.03199
|
|
191 9D-1 -0.00756 0.04779 -0.06584 -0.05232 0.08772
|
|
192 9D+2 0.00691 0.05883 0.01599 -0.05083 0.02634
|
|
193 9D-2 -0.03309 -0.00299 0.05450 0.02632 -0.00196
|
|
194 10F 0 -0.00423 -0.02413 0.02313 0.01023 0.01299
|
|
195 10F+1 -0.00926 0.01884 0.01178 -0.01180 0.00328
|
|
196 10F-1 0.00631 0.00002 0.00200 -0.00008 -0.01876
|
|
197 10F+2 0.00474 -0.01805 -0.00089 0.00712 -0.00824
|
|
198 10F-2 0.00929 0.00004 -0.01685 0.00200 0.00240
|
|
199 10F+3 0.00174 0.00336 -0.00397 0.00127 -0.00137
|
|
200 10F-3 -0.00087 0.00400 0.00189 -0.00363 0.00491
|
|
201 6 H 1S 0.00726 0.01022 0.00411 0.01053 0.02412
|
|
202 2S -0.02623 -0.01367 0.11587 0.07980 -0.18723
|
|
203 3S 1.74195 1.86329 3.12679 -1.61747 -0.06762
|
|
204 4S 0.08235 0.30405 0.44531 -0.27574 0.59960
|
|
205 5PX 0.00853 0.01208 0.01458 -0.00241 -0.01406
|
|
206 5PY -0.02625 0.00000 0.01588 0.02477 0.00072
|
|
207 5PZ 0.01656 -0.00350 -0.01309 0.02563 0.00514
|
|
208 6PX -0.06380 -0.09406 -0.17444 0.04015 0.16446
|
|
209 6PY 0.08149 0.01765 -0.02484 -0.09506 -0.02360
|
|
210 6PZ -0.03430 0.02022 0.07910 -0.10568 -0.07438
|
|
211 7PX -0.71784 -0.07075 -0.19928 1.29164 -1.01025
|
|
212 7PY -1.02862 0.01873 1.06585 0.78222 0.02705
|
|
213 7PZ 1.19610 0.18477 -0.09936 0.66659 0.18937
|
|
214 8D 0 -0.00156 -0.00064 -0.00370 -0.00390 0.00452
|
|
215 8D+1 0.00763 0.00140 -0.00402 0.00038 0.01143
|
|
216 8D-1 0.00063 0.00286 0.00013 -0.00267 0.00071
|
|
217 8D+2 -0.00397 0.00563 0.00814 0.00524 -0.01334
|
|
218 8D-2 -0.00321 -0.00446 -0.00217 0.00438 0.00297
|
|
219 9D 0 0.01857 -0.01357 -0.01478 0.09206 -0.06338
|
|
220 9D+1 -0.17804 -0.02288 -0.00189 -0.01416 -0.01793
|
|
221 9D-1 0.01235 -0.02790 0.01679 0.04395 -0.02186
|
|
222 9D+2 0.12101 0.00128 -0.04020 -0.15986 0.11488
|
|
223 9D-2 0.07673 -0.00195 -0.09413 -0.02698 -0.02890
|
|
224 10F 0 -0.01414 -0.00068 0.00263 -0.00278 0.00098
|
|
225 10F+1 -0.00878 0.00074 -0.00132 -0.01959 0.01093
|
|
226 10F-1 0.00541 -0.00038 -0.00259 0.00004 -0.00816
|
|
227 10F+2 0.02137 -0.00255 -0.00478 0.00080 0.00265
|
|
228 10F-2 -0.00391 0.00348 -0.00424 -0.00979 0.00257
|
|
229 10F+3 -0.01949 -0.00016 0.01789 0.02288 -0.01446
|
|
230 10F-3 -0.00942 0.00177 0.01066 -0.00471 0.01110
|
|
36 37 38 39 40
|
|
V V V V V
|
|
Eigenvalues -- 1.10169 1.14718 1.15179 1.20959 1.24025
|
|
1 1 N 1S 0.02395 -0.00518 -0.01300 0.01596 0.00854
|
|
2 2S -0.04773 0.00387 0.03618 -0.01006 -0.01383
|
|
3 3S -0.02195 -0.14972 0.03912 0.39349 0.09428
|
|
4 4S -1.64150 1.18794 1.14512 -2.76950 -0.98662
|
|
5 5S -0.70278 1.81362 4.28549 -4.52564 -3.54260
|
|
6 6PX 0.00407 0.00381 -0.04129 -0.01431 0.04151
|
|
7 6PY 0.00391 0.00761 0.01419 -0.01960 -0.00486
|
|
8 6PZ -0.02133 0.04644 0.02635 -0.06695 -0.02577
|
|
9 7PX 0.04044 0.09469 -0.08669 0.01937 0.04297
|
|
10 7PY -0.00412 -0.00249 0.02328 -0.01531 -0.00868
|
|
11 7PZ -0.02549 0.14077 0.04143 -0.08435 -0.04937
|
|
12 8PX -0.11291 -0.40715 -0.95232 -1.60061 1.48409
|
|
13 8PY -0.22510 0.52872 0.86818 -1.00549 -0.98305
|
|
14 8PZ -0.95160 0.77062 0.56887 -3.38648 -0.13800
|
|
15 9PX 0.04702 -0.18981 -0.36940 -0.82127 1.62052
|
|
16 9PY -0.55992 0.47811 -1.02822 -0.98382 -0.33092
|
|
17 9PZ -1.36642 0.35823 0.95020 -2.24026 0.12689
|
|
18 10D 0 0.00330 -0.00543 -0.00255 0.01399 0.01205
|
|
19 10D+1 0.00576 -0.00239 -0.00683 0.00638 0.00436
|
|
20 10D-1 0.00698 0.00078 -0.01503 0.01118 -0.01558
|
|
21 10D+2 -0.00101 0.00116 -0.01505 -0.00863 0.01030
|
|
22 10D-2 -0.00913 -0.00706 0.00314 0.00895 -0.00463
|
|
23 11D 0 -0.05046 -0.00090 0.02951 -0.25478 0.02078
|
|
24 11D+1 0.02407 0.01044 0.01784 -0.07454 -0.01380
|
|
25 11D-1 -0.05308 0.00963 0.01766 -0.19239 -0.02090
|
|
26 11D+2 0.01468 0.02610 0.07900 0.08678 -0.11141
|
|
27 11D-2 -0.00174 -0.02564 -0.03189 -0.08058 0.03661
|
|
28 12D 0 -0.14686 -0.79785 0.17168 -1.24575 1.16718
|
|
29 12D+1 0.91214 -0.20990 -0.23683 -0.26459 0.47380
|
|
30 12D-1 -0.29178 -0.26251 -0.32615 -0.87082 -0.79475
|
|
31 12D+2 0.25934 0.46254 -0.40222 0.30405 -0.04031
|
|
32 12D-2 -0.40088 -0.72017 0.02060 -0.15966 0.11510
|
|
33 13F 0 -0.01340 0.01292 0.00190 -0.00777 -0.01412
|
|
34 13F+1 -0.00921 0.00245 0.01016 -0.00837 -0.00650
|
|
35 13F-1 -0.00323 0.00932 -0.00650 -0.01688 0.00736
|
|
36 13F+2 0.00550 -0.00152 -0.00564 0.00031 0.00007
|
|
37 13F-2 -0.01303 0.00573 0.00326 -0.00495 -0.00082
|
|
38 13F+3 0.00343 0.00091 -0.00879 -0.00323 0.00395
|
|
39 13F-3 -0.00442 -0.00340 -0.00145 0.00227 0.00563
|
|
40 14F 0 0.12501 -0.11059 0.02445 -0.09246 0.16599
|
|
41 14F+1 0.08065 0.06553 -0.07326 -0.04914 -0.02216
|
|
42 14F-1 -0.01594 -0.10700 0.02466 -0.13694 -0.05714
|
|
43 14F+2 -0.05415 0.01154 0.02473 0.01232 0.03439
|
|
44 14F-2 0.12418 -0.02373 -0.03588 -0.03772 0.00136
|
|
45 14F+3 -0.03070 -0.02753 0.08344 0.00192 0.05391
|
|
46 14F-3 0.09996 0.13046 0.01441 0.03124 -0.07574
|
|
47 15G 0 0.00121 0.00136 0.00820 -0.00775 0.01002
|
|
48 15G+1 -0.00761 -0.00563 -0.00304 -0.01746 0.00491
|
|
49 15G-1 0.00147 -0.00518 0.00111 -0.01825 0.00638
|
|
50 15G+2 0.00968 -0.00910 0.00608 0.00795 0.02153
|
|
51 15G-2 0.00945 0.00749 -0.01048 -0.01256 -0.01038
|
|
52 15G+3 0.00552 -0.00066 -0.00340 0.00749 0.00691
|
|
53 15G-3 -0.01364 0.00164 -0.00117 -0.00038 0.00006
|
|
54 15G+4 0.00170 -0.00078 -0.00356 0.00492 -0.00929
|
|
55 15G-4 -0.00907 -0.01754 -0.00056 -0.00574 0.01044
|
|
56 2 N 1S -0.02395 0.00518 -0.01300 0.01596 0.00854
|
|
57 2S 0.04773 -0.00387 0.03618 -0.01006 -0.01383
|
|
58 3S 0.02195 0.14972 0.03912 0.39349 0.09428
|
|
59 4S 1.64150 -1.18794 1.14512 -2.76950 -0.98662
|
|
60 5S 0.70278 -1.81362 4.28549 -4.52564 -3.54260
|
|
61 6PX 0.00407 0.00381 0.04129 0.01431 -0.04151
|
|
62 6PY 0.00391 0.00761 -0.01419 0.01960 0.00486
|
|
63 6PZ 0.02133 -0.04644 0.02635 -0.06695 -0.02577
|
|
64 7PX 0.04044 0.09469 0.08669 -0.01937 -0.04297
|
|
65 7PY -0.00412 -0.00249 -0.02328 0.01531 0.00868
|
|
66 7PZ 0.02549 -0.14077 0.04143 -0.08435 -0.04937
|
|
67 8PX -0.11291 -0.40715 0.95232 1.60061 -1.48409
|
|
68 8PY -0.22510 0.52872 -0.86818 1.00549 0.98305
|
|
69 8PZ 0.95160 -0.77062 0.56887 -3.38648 -0.13800
|
|
70 9PX 0.04702 -0.18981 0.36940 0.82127 -1.62052
|
|
71 9PY -0.55992 0.47811 1.02822 0.98382 0.33092
|
|
72 9PZ 1.36642 -0.35823 0.95020 -2.24026 0.12689
|
|
73 10D 0 -0.00330 0.00543 -0.00255 0.01399 0.01205
|
|
74 10D+1 0.00576 -0.00239 0.00683 -0.00638 -0.00436
|
|
75 10D-1 0.00698 0.00078 0.01503 -0.01118 0.01558
|
|
76 10D+2 0.00101 -0.00116 -0.01505 -0.00863 0.01030
|
|
77 10D-2 0.00913 0.00706 0.00314 0.00895 -0.00463
|
|
78 11D 0 0.05046 0.00090 0.02951 -0.25478 0.02078
|
|
79 11D+1 0.02407 0.01044 -0.01784 0.07454 0.01380
|
|
80 11D-1 -0.05308 0.00963 -0.01766 0.19239 0.02090
|
|
81 11D+2 -0.01468 -0.02610 0.07900 0.08678 -0.11141
|
|
82 11D-2 0.00174 0.02564 -0.03189 -0.08058 0.03661
|
|
83 12D 0 0.14686 0.79785 0.17168 -1.24575 1.16718
|
|
84 12D+1 0.91214 -0.20990 0.23683 0.26459 -0.47380
|
|
85 12D-1 -0.29178 -0.26251 0.32615 0.87082 0.79475
|
|
86 12D+2 -0.25934 -0.46254 -0.40222 0.30405 -0.04031
|
|
87 12D-2 0.40088 0.72017 0.02060 -0.15966 0.11510
|
|
88 13F 0 0.01340 -0.01292 0.00190 -0.00777 -0.01412
|
|
89 13F+1 -0.00921 0.00245 -0.01016 0.00837 0.00650
|
|
90 13F-1 -0.00323 0.00932 0.00650 0.01688 -0.00736
|
|
91 13F+2 -0.00550 0.00152 -0.00564 0.00031 0.00007
|
|
92 13F-2 0.01303 -0.00573 0.00326 -0.00495 -0.00082
|
|
93 13F+3 0.00343 0.00091 0.00879 0.00323 -0.00395
|
|
94 13F-3 -0.00442 -0.00340 0.00145 -0.00227 -0.00563
|
|
95 14F 0 -0.12501 0.11059 0.02445 -0.09246 0.16599
|
|
96 14F+1 0.08065 0.06553 0.07326 0.04914 0.02216
|
|
97 14F-1 -0.01594 -0.10700 -0.02466 0.13694 0.05714
|
|
98 14F+2 0.05415 -0.01154 0.02473 0.01232 0.03439
|
|
99 14F-2 -0.12418 0.02373 -0.03588 -0.03772 0.00136
|
|
100 14F+3 -0.03070 -0.02753 -0.08344 -0.00192 -0.05391
|
|
101 14F-3 0.09996 0.13046 -0.01441 -0.03124 0.07574
|
|
102 15G 0 -0.00121 -0.00136 0.00820 -0.00775 0.01002
|
|
103 15G+1 -0.00761 -0.00563 0.00304 0.01746 -0.00491
|
|
104 15G-1 0.00147 -0.00518 -0.00111 0.01825 -0.00638
|
|
105 15G+2 -0.00968 0.00910 0.00608 0.00795 0.02153
|
|
106 15G-2 -0.00945 -0.00749 -0.01048 -0.01256 -0.01038
|
|
107 15G+3 0.00552 -0.00066 0.00340 -0.00749 -0.00691
|
|
108 15G-3 -0.01364 0.00164 0.00117 0.00038 -0.00006
|
|
109 15G+4 -0.00170 0.00078 -0.00356 0.00492 -0.00929
|
|
110 15G-4 0.00907 0.01754 -0.00056 -0.00574 0.01044
|
|
111 3 H 1S 0.00690 -0.04160 -0.03266 -0.04965 0.01074
|
|
112 2S -0.12096 0.18110 -0.03271 0.10577 -0.07243
|
|
113 3S 2.15918 -1.29672 -2.50983 8.70956 0.48477
|
|
114 4S 0.52630 -1.00721 -0.54692 0.92001 0.12012
|
|
115 5PX 0.00916 0.00109 -0.00600 0.01353 0.00262
|
|
116 5PY -0.00442 0.01771 0.02461 0.03723 -0.01043
|
|
117 5PZ 0.01006 0.00587 0.00447 0.05482 0.00347
|
|
118 6PX -0.04884 -0.05484 0.04517 -0.14222 -0.00207
|
|
119 6PY 0.05085 -0.13360 -0.13964 -0.32386 0.08058
|
|
120 6PZ -0.01966 -0.12820 -0.03186 -0.61671 0.00430
|
|
121 7PX -0.73691 0.47605 0.45737 -1.04482 -0.39333
|
|
122 7PY -0.28971 0.74387 1.49173 -1.28138 0.75139
|
|
123 7PZ -1.18600 1.44972 0.98867 -3.56844 -0.56329
|
|
124 8D 0 -0.00615 0.01034 0.00319 0.00782 -0.00616
|
|
125 8D+1 -0.00917 0.01383 0.00226 0.00014 -0.00459
|
|
126 8D-1 -0.00439 0.01441 0.01137 0.00857 0.00291
|
|
127 8D+2 -0.00024 0.00058 -0.01097 0.00072 -0.00594
|
|
128 8D-2 -0.00225 0.00125 0.00434 -0.00205 0.00053
|
|
129 9D 0 0.12146 -0.16642 -0.03756 0.39995 0.17303
|
|
130 9D+1 0.17762 -0.09249 -0.10701 0.22633 0.06516
|
|
131 9D-1 0.04899 -0.13128 -0.13627 0.31608 -0.13725
|
|
132 9D+2 0.05117 -0.01007 0.05243 -0.06211 0.11453
|
|
133 9D-2 0.02467 0.01035 -0.07627 0.11286 -0.04198
|
|
134 10F 0 -0.00838 0.01544 -0.00530 -0.02880 -0.02823
|
|
135 10F+1 -0.02157 0.01192 0.01252 -0.02571 -0.01039
|
|
136 10F-1 -0.01189 0.02255 0.01354 -0.03878 0.00808
|
|
137 10F+2 -0.00779 -0.00193 -0.00358 0.00631 -0.02075
|
|
138 10F-2 -0.00744 0.00268 0.01471 -0.01699 0.00701
|
|
139 10F+3 -0.00276 0.00247 -0.00681 0.00251 -0.00842
|
|
140 10F-3 -0.00491 -0.00444 0.00184 -0.00149 -0.00556
|
|
141 4 H 1S 0.03331 0.05347 -0.03395 0.02024 -0.00069
|
|
142 2S -0.21366 -0.14163 0.10858 -0.01491 0.06420
|
|
143 3S -0.34164 -1.39779 -2.54888 -1.78460 3.99278
|
|
144 4S 0.44683 0.51957 -0.51009 -0.19216 0.56358
|
|
145 5PX 0.01209 0.02925 0.00116 0.01761 -0.01827
|
|
146 5PY -0.01722 -0.01389 0.01731 -0.00907 -0.00572
|
|
147 5PZ 0.00033 0.01453 -0.00920 0.00149 -0.02027
|
|
148 6PX -0.24620 -0.32159 0.04040 -0.16896 0.20336
|
|
149 6PY 0.12946 0.11781 -0.12082 0.07331 0.01361
|
|
150 6PZ -0.01205 -0.14266 0.06268 -0.01759 0.12638
|
|
151 7PX 0.35600 0.29389 -1.62902 -0.99757 1.47643
|
|
152 7PY -0.59700 -0.68489 0.98328 0.36469 -0.72419
|
|
153 7PZ 0.97663 -0.31443 -0.63562 -0.14156 0.88023
|
|
154 8D 0 0.00584 0.00696 -0.01130 -0.00055 -0.00159
|
|
155 8D+1 -0.01281 -0.00699 0.00839 0.00264 -0.00738
|
|
156 8D-1 -0.00045 0.00192 -0.00644 0.00151 0.00807
|
|
157 8D+2 -0.01153 -0.01046 0.00530 -0.00180 0.00435
|
|
158 8D-2 0.01242 0.01577 -0.01076 0.00194 0.00183
|
|
159 9D 0 0.04738 -0.05571 0.13071 0.08010 -0.03163
|
|
160 9D+1 0.18028 -0.11176 -0.08703 -0.04792 0.23661
|
|
161 9D-1 -0.01745 0.01311 0.03401 0.00220 -0.10701
|
|
162 9D+2 -0.00082 -0.02207 -0.15689 -0.09148 0.12226
|
|
163 9D-2 -0.07388 -0.12763 0.09209 0.07670 -0.11452
|
|
164 10F 0 -0.01616 0.00785 0.00820 0.00074 -0.01739
|
|
165 10F+1 0.00938 -0.01627 0.01360 0.00565 0.00518
|
|
166 10F-1 0.00053 0.01289 -0.00442 -0.00717 0.00379
|
|
167 10F+2 0.01856 -0.01149 -0.00885 -0.00274 0.01698
|
|
168 10F-2 -0.01197 -0.00008 0.00647 0.00008 -0.01212
|
|
169 10F+3 -0.00295 -0.00716 -0.01678 -0.00281 0.00259
|
|
170 10F-3 -0.01335 -0.01454 0.01123 0.00856 -0.01261
|
|
171 5 H 1S -0.00690 0.04160 -0.03266 -0.04965 0.01074
|
|
172 2S 0.12096 -0.18110 -0.03271 0.10577 -0.07243
|
|
173 3S -2.15918 1.29672 -2.50983 8.70956 0.48477
|
|
174 4S -0.52630 1.00721 -0.54692 0.92001 0.12012
|
|
175 5PX 0.00916 0.00109 0.00600 -0.01353 -0.00262
|
|
176 5PY -0.00442 0.01771 -0.02461 -0.03723 0.01043
|
|
177 5PZ -0.01006 -0.00587 0.00447 0.05482 0.00347
|
|
178 6PX -0.04884 -0.05484 -0.04517 0.14222 0.00207
|
|
179 6PY 0.05085 -0.13360 0.13964 0.32386 -0.08058
|
|
180 6PZ 0.01966 0.12820 -0.03186 -0.61671 0.00430
|
|
181 7PX -0.73691 0.47605 -0.45737 1.04482 0.39333
|
|
182 7PY -0.28971 0.74387 -1.49173 1.28138 -0.75139
|
|
183 7PZ 1.18600 -1.44972 0.98867 -3.56844 -0.56329
|
|
184 8D 0 0.00615 -0.01034 0.00319 0.00782 -0.00616
|
|
185 8D+1 -0.00917 0.01383 -0.00226 -0.00014 0.00459
|
|
186 8D-1 -0.00439 0.01441 -0.01137 -0.00857 -0.00291
|
|
187 8D+2 0.00024 -0.00058 -0.01097 0.00072 -0.00594
|
|
188 8D-2 0.00225 -0.00125 0.00434 -0.00205 0.00053
|
|
189 9D 0 -0.12146 0.16642 -0.03756 0.39995 0.17303
|
|
190 9D+1 0.17762 -0.09249 0.10701 -0.22633 -0.06516
|
|
191 9D-1 0.04899 -0.13128 0.13627 -0.31608 0.13725
|
|
192 9D+2 -0.05117 0.01007 0.05243 -0.06211 0.11453
|
|
193 9D-2 -0.02467 -0.01035 -0.07627 0.11286 -0.04198
|
|
194 10F 0 0.00838 -0.01544 -0.00530 -0.02880 -0.02823
|
|
195 10F+1 -0.02157 0.01192 -0.01252 0.02571 0.01039
|
|
196 10F-1 -0.01189 0.02255 -0.01354 0.03878 -0.00808
|
|
197 10F+2 0.00779 0.00193 -0.00358 0.00631 -0.02075
|
|
198 10F-2 0.00744 -0.00268 0.01471 -0.01699 0.00701
|
|
199 10F+3 -0.00276 0.00247 0.00681 -0.00251 0.00842
|
|
200 10F-3 -0.00491 -0.00444 -0.00184 0.00149 0.00556
|
|
201 6 H 1S -0.03331 -0.05347 -0.03395 0.02024 -0.00069
|
|
202 2S 0.21366 0.14163 0.10858 -0.01491 0.06420
|
|
203 3S 0.34164 1.39779 -2.54888 -1.78460 3.99278
|
|
204 4S -0.44683 -0.51957 -0.51009 -0.19216 0.56358
|
|
205 5PX 0.01209 0.02925 -0.00116 -0.01761 0.01827
|
|
206 5PY -0.01722 -0.01389 -0.01731 0.00907 0.00572
|
|
207 5PZ -0.00033 -0.01453 -0.00920 0.00149 -0.02027
|
|
208 6PX -0.24620 -0.32159 -0.04040 0.16896 -0.20336
|
|
209 6PY 0.12946 0.11781 0.12082 -0.07331 -0.01361
|
|
210 6PZ 0.01205 0.14266 0.06268 -0.01759 0.12638
|
|
211 7PX 0.35600 0.29389 1.62902 0.99757 -1.47643
|
|
212 7PY -0.59700 -0.68489 -0.98328 -0.36469 0.72419
|
|
213 7PZ -0.97663 0.31443 -0.63562 -0.14156 0.88023
|
|
214 8D 0 -0.00584 -0.00696 -0.01130 -0.00055 -0.00159
|
|
215 8D+1 -0.01281 -0.00699 -0.00839 -0.00264 0.00738
|
|
216 8D-1 -0.00045 0.00192 0.00644 -0.00151 -0.00807
|
|
217 8D+2 0.01153 0.01046 0.00530 -0.00180 0.00435
|
|
218 8D-2 -0.01242 -0.01577 -0.01076 0.00194 0.00183
|
|
219 9D 0 -0.04738 0.05571 0.13071 0.08010 -0.03163
|
|
220 9D+1 0.18028 -0.11176 0.08703 0.04792 -0.23661
|
|
221 9D-1 -0.01745 0.01311 -0.03401 -0.00220 0.10701
|
|
222 9D+2 0.00082 0.02207 -0.15689 -0.09148 0.12226
|
|
223 9D-2 0.07388 0.12763 0.09209 0.07670 -0.11452
|
|
224 10F 0 0.01616 -0.00785 0.00820 0.00074 -0.01739
|
|
225 10F+1 0.00938 -0.01627 -0.01360 -0.00565 -0.00518
|
|
226 10F-1 0.00053 0.01289 0.00442 0.00717 -0.00379
|
|
227 10F+2 -0.01856 0.01149 -0.00885 -0.00274 0.01698
|
|
228 10F-2 0.01197 0.00008 0.00647 0.00008 -0.01212
|
|
229 10F+3 -0.00295 -0.00716 0.01678 0.00281 -0.00259
|
|
230 10F-3 -0.01335 -0.01454 -0.01123 -0.00856 0.01261
|
|
41 42 43 44 45
|
|
V V V V V
|
|
Eigenvalues -- 1.24260 1.26864 1.28081 1.34624 1.37517
|
|
1 1 N 1S 0.02168 0.02389 0.01862 -0.01396 -0.02297
|
|
2 2S -0.02188 -0.02795 -0.00916 0.01357 0.02541
|
|
3 3S 0.43333 0.37728 0.55623 -0.09723 0.02653
|
|
4 4S -3.30748 -3.31938 -3.90170 0.24368 -0.66516
|
|
5 5S -8.34710 -4.98706 -5.08032 3.61783 1.22928
|
|
6 6PX 0.08653 -0.01063 0.04630 0.02382 -0.00476
|
|
7 6PY -0.01137 -0.01449 -0.02647 -0.04836 -0.09586
|
|
8 6PZ -0.00335 -0.03306 -0.00930 0.05442 -0.02098
|
|
9 7PX 0.13264 0.03060 0.04507 -0.01094 -0.03479
|
|
10 7PY 0.01091 -0.01371 -0.03470 0.03546 0.04931
|
|
11 7PZ -0.01665 -0.08363 -0.01694 0.04738 0.03567
|
|
12 8PX 3.29398 -0.33795 2.11431 1.98761 -0.20858
|
|
13 8PY -1.04114 -1.07894 -0.21891 -1.07064 -2.66369
|
|
14 8PZ 0.71400 -1.67111 -0.26940 1.95049 -1.92740
|
|
15 9PX 2.49067 -0.06459 1.48521 2.46056 -0.30075
|
|
16 9PY -0.20376 0.26113 -0.46351 -1.35753 -3.04257
|
|
17 9PZ -0.11253 -0.58500 -0.60164 2.66492 -2.69079
|
|
18 10D 0 -0.01338 0.01407 -0.00890 0.00065 0.00607
|
|
19 10D+1 0.00228 -0.00307 0.00919 0.00318 0.00962
|
|
20 10D-1 -0.00151 0.00950 -0.00088 -0.00717 0.01148
|
|
21 10D+2 0.01673 0.00671 -0.00910 0.00782 0.00884
|
|
22 10D-2 -0.00505 -0.00818 -0.01272 -0.01509 0.00488
|
|
23 11D 0 0.13223 -0.13348 0.06490 0.12711 -0.15222
|
|
24 11D+1 -0.07188 -0.13122 -0.11822 -0.01926 -0.07349
|
|
25 11D-1 0.03397 -0.10656 0.00245 0.05590 -0.10525
|
|
26 11D+2 -0.17350 -0.05098 -0.09315 -0.14383 -0.04221
|
|
27 11D-2 0.16069 -0.02178 0.08680 0.05722 0.00345
|
|
28 12D 0 0.27093 -0.48655 -0.24104 1.02023 -2.05966
|
|
29 12D+1 -0.50124 -1.58260 -0.99212 0.00990 0.00987
|
|
30 12D-1 0.37815 -0.07531 -0.01359 0.06612 -0.10013
|
|
31 12D+2 -0.41626 -0.53908 -1.64202 -2.14145 -1.39501
|
|
32 12D-2 1.04459 -0.66418 -0.70320 -0.20708 0.22391
|
|
33 13F 0 -0.00507 -0.00781 0.00064 -0.00077 0.00100
|
|
34 13F+1 -0.00861 -0.00391 0.00125 0.00344 -0.00411
|
|
35 13F-1 -0.00048 -0.01296 -0.00962 0.00243 -0.02154
|
|
36 13F+2 0.00363 0.00051 0.00537 0.00406 0.00090
|
|
37 13F-2 -0.00382 0.00353 -0.00445 -0.00045 -0.00531
|
|
38 13F+3 0.01411 -0.00209 0.00857 -0.00587 0.00008
|
|
39 13F-3 -0.00575 -0.00849 -0.02531 -0.01961 -0.01294
|
|
40 14F 0 -0.08308 -0.06300 -0.14551 0.08026 -0.17931
|
|
41 14F+1 -0.03429 -0.12652 -0.19248 -0.09190 -0.05626
|
|
42 14F-1 0.04806 -0.03665 0.02966 0.11355 0.08562
|
|
43 14F+2 0.07354 0.07550 0.04547 0.01550 0.00839
|
|
44 14F-2 -0.04818 -0.15774 -0.03895 0.00557 -0.00084
|
|
45 14F+3 -0.02203 0.08524 0.12788 0.18769 -0.00217
|
|
46 14F-3 -0.18097 0.05944 0.05851 0.13759 0.14150
|
|
47 15G 0 -0.00706 0.01048 -0.01028 0.01008 -0.01242
|
|
48 15G+1 0.01494 -0.00444 0.00101 0.00891 -0.01109
|
|
49 15G-1 -0.00875 -0.01135 -0.00490 0.01315 -0.01548
|
|
50 15G+2 0.00312 -0.00533 0.00972 0.02130 0.01781
|
|
51 15G-2 -0.00485 -0.01534 -0.00319 -0.00227 -0.00085
|
|
52 15G+3 -0.00167 0.00239 -0.01216 -0.00798 -0.00436
|
|
53 15G-3 0.01767 -0.00087 -0.00223 -0.00465 0.00014
|
|
54 15G+4 0.00322 -0.00314 -0.01999 -0.00888 0.01909
|
|
55 15G-4 0.01805 0.00108 0.00786 0.00813 0.00277
|
|
56 2 N 1S -0.02168 -0.02389 0.01862 0.01396 0.02297
|
|
57 2S 0.02188 0.02795 -0.00916 -0.01357 -0.02541
|
|
58 3S -0.43333 -0.37728 0.55623 0.09723 -0.02653
|
|
59 4S 3.30748 3.31938 -3.90170 -0.24368 0.66516
|
|
60 5S 8.34710 4.98706 -5.08032 -3.61783 -1.22928
|
|
61 6PX 0.08653 -0.01063 -0.04630 0.02382 -0.00476
|
|
62 6PY -0.01137 -0.01449 0.02647 -0.04836 -0.09586
|
|
63 6PZ 0.00335 0.03306 -0.00930 -0.05442 0.02098
|
|
64 7PX 0.13264 0.03060 -0.04507 -0.01094 -0.03479
|
|
65 7PY 0.01091 -0.01371 0.03470 0.03546 0.04931
|
|
66 7PZ 0.01665 0.08363 -0.01694 -0.04738 -0.03567
|
|
67 8PX 3.29398 -0.33795 -2.11431 1.98761 -0.20858
|
|
68 8PY -1.04114 -1.07894 0.21891 -1.07064 -2.66369
|
|
69 8PZ -0.71400 1.67111 -0.26940 -1.95049 1.92740
|
|
70 9PX 2.49067 -0.06459 -1.48521 2.46056 -0.30075
|
|
71 9PY -0.20376 0.26113 0.46351 -1.35753 -3.04257
|
|
72 9PZ 0.11253 0.58500 -0.60164 -2.66492 2.69079
|
|
73 10D 0 0.01338 -0.01407 -0.00890 -0.00065 -0.00607
|
|
74 10D+1 0.00228 -0.00307 -0.00919 0.00318 0.00962
|
|
75 10D-1 -0.00151 0.00950 0.00088 -0.00717 0.01148
|
|
76 10D+2 -0.01673 -0.00671 -0.00910 -0.00782 -0.00884
|
|
77 10D-2 0.00505 0.00818 -0.01272 0.01509 -0.00488
|
|
78 11D 0 -0.13223 0.13348 0.06490 -0.12711 0.15222
|
|
79 11D+1 -0.07188 -0.13122 0.11822 -0.01926 -0.07349
|
|
80 11D-1 0.03397 -0.10656 -0.00245 0.05590 -0.10525
|
|
81 11D+2 0.17350 0.05098 -0.09315 0.14383 0.04221
|
|
82 11D-2 -0.16069 0.02178 0.08680 -0.05722 -0.00345
|
|
83 12D 0 -0.27093 0.48655 -0.24104 -1.02023 2.05966
|
|
84 12D+1 -0.50124 -1.58260 0.99212 0.00990 0.00987
|
|
85 12D-1 0.37815 -0.07531 0.01359 0.06612 -0.10013
|
|
86 12D+2 0.41626 0.53908 -1.64202 2.14145 1.39501
|
|
87 12D-2 -1.04459 0.66418 -0.70320 0.20708 -0.22391
|
|
88 13F 0 0.00507 0.00781 0.00064 0.00077 -0.00100
|
|
89 13F+1 -0.00861 -0.00391 -0.00125 0.00344 -0.00411
|
|
90 13F-1 -0.00048 -0.01296 0.00962 0.00243 -0.02154
|
|
91 13F+2 -0.00363 -0.00051 0.00537 -0.00406 -0.00090
|
|
92 13F-2 0.00382 -0.00353 -0.00445 0.00045 0.00531
|
|
93 13F+3 0.01411 -0.00209 -0.00857 -0.00587 0.00008
|
|
94 13F-3 -0.00575 -0.00849 0.02531 -0.01961 -0.01294
|
|
95 14F 0 0.08308 0.06300 -0.14551 -0.08026 0.17931
|
|
96 14F+1 -0.03429 -0.12652 0.19248 -0.09190 -0.05626
|
|
97 14F-1 0.04806 -0.03665 -0.02966 0.11355 0.08562
|
|
98 14F+2 -0.07354 -0.07550 0.04547 -0.01550 -0.00839
|
|
99 14F-2 0.04818 0.15774 -0.03895 -0.00557 0.00084
|
|
100 14F+3 -0.02203 0.08524 -0.12788 0.18769 -0.00217
|
|
101 14F-3 -0.18097 0.05944 -0.05851 0.13759 0.14150
|
|
102 15G 0 0.00706 -0.01048 -0.01028 -0.01008 0.01242
|
|
103 15G+1 0.01494 -0.00444 -0.00101 0.00891 -0.01109
|
|
104 15G-1 -0.00875 -0.01135 0.00490 0.01315 -0.01548
|
|
105 15G+2 -0.00312 0.00533 0.00972 -0.02130 -0.01781
|
|
106 15G-2 0.00485 0.01534 -0.00319 0.00227 0.00085
|
|
107 15G+3 -0.00167 0.00239 0.01216 -0.00798 -0.00436
|
|
108 15G-3 0.01767 -0.00087 0.00223 -0.00465 0.00014
|
|
109 15G+4 -0.00322 0.00314 -0.01999 0.00888 -0.01909
|
|
110 15G-4 -0.01805 -0.00108 0.00786 -0.00813 -0.00277
|
|
111 3 H 1S 0.00391 -0.02101 -0.01254 0.00543 -0.04594
|
|
112 2S 0.00775 0.16308 0.12521 -0.14953 -0.00200
|
|
113 3S 0.59805 5.20142 2.69000 -4.97087 5.54501
|
|
114 4S -0.11017 0.63277 0.20212 -1.00298 0.89387
|
|
115 5PX 0.00159 -0.01113 -0.00441 -0.01221 0.01643
|
|
116 5PY 0.00463 0.00431 0.01419 -0.00680 0.03146
|
|
117 5PZ -0.00224 0.03361 0.01141 -0.01670 0.04476
|
|
118 6PX -0.01662 0.00305 -0.01620 0.08745 -0.14325
|
|
119 6PY -0.01996 -0.10753 -0.13367 0.09274 -0.26732
|
|
120 6PZ 0.00904 -0.38139 -0.18087 0.20854 -0.43770
|
|
121 7PX -0.24165 0.13247 0.36351 0.52112 -0.91565
|
|
122 7PY 0.06460 -1.48846 -0.85075 1.14630 -1.11348
|
|
123 7PZ 0.25310 -2.57837 -0.66317 1.71377 -1.42011
|
|
124 8D 0 0.00182 -0.00144 0.00275 -0.00125 0.01536
|
|
125 8D+1 0.00254 0.01167 0.01264 0.00267 -0.00043
|
|
126 8D-1 -0.00021 -0.00631 -0.00079 -0.00090 -0.00130
|
|
127 8D+2 0.00102 0.00157 0.00655 -0.00085 -0.00148
|
|
128 8D-2 -0.00481 0.00197 0.00254 0.00707 0.00426
|
|
129 9D 0 -0.05115 0.38694 0.05215 -0.10220 0.05369
|
|
130 9D+1 0.02213 -0.06684 -0.09040 -0.14051 0.18085
|
|
131 9D-1 -0.00443 0.29067 0.17004 -0.18997 0.28791
|
|
132 9D+2 0.00140 -0.09331 -0.13480 0.03113 -0.05052
|
|
133 9D-2 0.05371 0.00305 0.01208 -0.12079 0.07767
|
|
134 10F 0 0.00440 -0.03841 -0.00068 -0.00840 0.00960
|
|
135 10F+1 -0.00541 -0.00015 0.00392 0.00965 -0.01622
|
|
136 10F-1 0.00486 -0.03266 -0.01258 0.02034 -0.01540
|
|
137 10F+2 -0.00238 0.02453 0.02182 -0.00600 0.01008
|
|
138 10F-2 -0.00656 -0.00408 -0.00426 0.01362 -0.01847
|
|
139 10F+3 0.00767 0.00661 0.00690 -0.00710 0.00679
|
|
140 10F-3 -0.00097 0.00707 0.00155 -0.00170 -0.00029
|
|
141 4 H 1S -0.02263 -0.00528 -0.03570 -0.03642 -0.01630
|
|
142 2S 0.21724 0.11805 0.16387 0.09046 -0.05047
|
|
143 3S 8.69799 1.63212 5.85610 5.36450 -0.01142
|
|
144 4S 1.45445 0.14947 0.45170 1.01853 -0.08381
|
|
145 5PX -0.04371 -0.00484 -0.03740 -0.03483 -0.00951
|
|
146 5PY 0.00046 0.00114 0.03451 0.02069 0.00491
|
|
147 5PZ -0.00214 0.00304 0.00951 -0.01723 -0.00539
|
|
148 6PX 0.54022 0.11127 0.44363 0.36789 0.08301
|
|
149 6PY -0.09464 -0.03022 -0.28337 -0.19694 -0.04804
|
|
150 6PZ 0.07156 0.01656 0.01700 0.13591 0.04564
|
|
151 7PX 4.03749 0.71961 2.07917 1.60553 -0.21685
|
|
152 7PY -0.78062 -0.91625 -1.57212 -1.55300 0.27033
|
|
153 7PZ 0.85602 -0.77523 0.58042 0.51862 0.19673
|
|
154 8D 0 -0.00376 0.00506 -0.00180 -0.00368 -0.00446
|
|
155 8D+1 0.00212 0.01532 0.00715 -0.00121 0.00156
|
|
156 8D-1 -0.00085 -0.00067 -0.00052 -0.00008 -0.00625
|
|
157 8D+2 -0.00302 0.00147 0.00948 0.01125 0.00226
|
|
158 8D-2 -0.00583 0.00835 0.00433 0.00206 -0.00096
|
|
159 9D 0 -0.24907 -0.13622 -0.21999 -0.08589 0.02615
|
|
160 9D+1 0.14888 -0.16214 0.06112 0.15390 0.01318
|
|
161 9D-1 -0.00897 -0.02003 -0.08169 -0.09545 0.04176
|
|
162 9D+2 0.51812 0.05068 0.11276 0.00702 0.00115
|
|
163 9D-2 -0.12592 -0.17435 -0.38660 -0.29684 0.01908
|
|
164 10F 0 -0.01078 0.00099 -0.01487 -0.01314 0.00110
|
|
165 10F+1 -0.03010 -0.02601 -0.02418 -0.00217 0.00183
|
|
166 10F-1 0.00161 0.00813 0.00856 0.00709 -0.00449
|
|
167 10F+2 0.02065 -0.01529 0.00380 0.00343 0.00487
|
|
168 10F-2 0.00057 -0.00605 -0.01930 -0.01807 0.00190
|
|
169 10F+3 0.05004 -0.00326 -0.00878 -0.01824 0.00261
|
|
170 10F-3 -0.02265 -0.01530 -0.03476 -0.02456 0.00798
|
|
171 5 H 1S -0.00391 0.02101 -0.01254 -0.00543 0.04594
|
|
172 2S -0.00775 -0.16308 0.12521 0.14953 0.00200
|
|
173 3S -0.59805 -5.20142 2.69000 4.97087 -5.54501
|
|
174 4S 0.11017 -0.63277 0.20212 1.00298 -0.89387
|
|
175 5PX 0.00159 -0.01113 0.00441 -0.01221 0.01643
|
|
176 5PY 0.00463 0.00431 -0.01419 -0.00680 0.03146
|
|
177 5PZ 0.00224 -0.03361 0.01141 0.01670 -0.04476
|
|
178 6PX -0.01662 0.00305 0.01620 0.08745 -0.14325
|
|
179 6PY -0.01996 -0.10753 0.13367 0.09274 -0.26732
|
|
180 6PZ -0.00904 0.38139 -0.18087 -0.20854 0.43770
|
|
181 7PX -0.24165 0.13247 -0.36351 0.52112 -0.91565
|
|
182 7PY 0.06460 -1.48846 0.85075 1.14630 -1.11348
|
|
183 7PZ -0.25310 2.57837 -0.66317 -1.71377 1.42011
|
|
184 8D 0 -0.00182 0.00144 0.00275 0.00125 -0.01536
|
|
185 8D+1 0.00254 0.01167 -0.01264 0.00267 -0.00043
|
|
186 8D-1 -0.00021 -0.00631 0.00079 -0.00090 -0.00130
|
|
187 8D+2 -0.00102 -0.00157 0.00655 0.00085 0.00148
|
|
188 8D-2 0.00481 -0.00197 0.00254 -0.00707 -0.00426
|
|
189 9D 0 0.05115 -0.38694 0.05215 0.10220 -0.05369
|
|
190 9D+1 0.02213 -0.06684 0.09040 -0.14051 0.18085
|
|
191 9D-1 -0.00443 0.29067 -0.17004 -0.18997 0.28791
|
|
192 9D+2 -0.00140 0.09331 -0.13480 -0.03113 0.05052
|
|
193 9D-2 -0.05371 -0.00305 0.01208 0.12079 -0.07767
|
|
194 10F 0 -0.00440 0.03841 -0.00068 0.00840 -0.00960
|
|
195 10F+1 -0.00541 -0.00015 -0.00392 0.00965 -0.01622
|
|
196 10F-1 0.00486 -0.03266 0.01258 0.02034 -0.01540
|
|
197 10F+2 0.00238 -0.02453 0.02182 0.00600 -0.01008
|
|
198 10F-2 0.00656 0.00408 -0.00426 -0.01362 0.01847
|
|
199 10F+3 0.00767 0.00661 -0.00690 -0.00710 0.00679
|
|
200 10F-3 -0.00097 0.00707 -0.00155 -0.00170 -0.00029
|
|
201 6 H 1S 0.02263 0.00528 -0.03570 0.03642 0.01630
|
|
202 2S -0.21724 -0.11805 0.16387 -0.09046 0.05047
|
|
203 3S -8.69799 -1.63212 5.85610 -5.36450 0.01142
|
|
204 4S -1.45445 -0.14947 0.45170 -1.01853 0.08381
|
|
205 5PX -0.04371 -0.00484 0.03740 -0.03483 -0.00951
|
|
206 5PY 0.00046 0.00114 -0.03451 0.02069 0.00491
|
|
207 5PZ 0.00214 -0.00304 0.00951 0.01723 0.00539
|
|
208 6PX 0.54022 0.11127 -0.44363 0.36789 0.08301
|
|
209 6PY -0.09464 -0.03022 0.28337 -0.19694 -0.04804
|
|
210 6PZ -0.07156 -0.01656 0.01700 -0.13591 -0.04564
|
|
211 7PX 4.03749 0.71961 -2.07917 1.60553 -0.21685
|
|
212 7PY -0.78062 -0.91625 1.57212 -1.55300 0.27033
|
|
213 7PZ -0.85602 0.77523 0.58042 -0.51862 -0.19673
|
|
214 8D 0 0.00376 -0.00506 -0.00180 0.00368 0.00446
|
|
215 8D+1 0.00212 0.01532 -0.00715 -0.00121 0.00156
|
|
216 8D-1 -0.00085 -0.00067 0.00052 -0.00008 -0.00625
|
|
217 8D+2 0.00302 -0.00147 0.00948 -0.01125 -0.00226
|
|
218 8D-2 0.00583 -0.00835 0.00433 -0.00206 0.00096
|
|
219 9D 0 0.24907 0.13622 -0.21999 0.08589 -0.02615
|
|
220 9D+1 0.14888 -0.16214 -0.06112 0.15390 0.01318
|
|
221 9D-1 -0.00897 -0.02003 0.08169 -0.09545 0.04176
|
|
222 9D+2 -0.51812 -0.05068 0.11276 -0.00702 -0.00115
|
|
223 9D-2 0.12592 0.17435 -0.38660 0.29684 -0.01908
|
|
224 10F 0 0.01078 -0.00099 -0.01487 0.01314 -0.00110
|
|
225 10F+1 -0.03010 -0.02601 0.02418 -0.00217 0.00183
|
|
226 10F-1 0.00161 0.00813 -0.00856 0.00709 -0.00449
|
|
227 10F+2 -0.02065 0.01529 0.00380 -0.00343 -0.00487
|
|
228 10F-2 -0.00057 0.00605 -0.01930 0.01807 -0.00190
|
|
229 10F+3 0.05004 -0.00326 0.00878 -0.01824 0.00261
|
|
230 10F-3 -0.02265 -0.01530 0.03476 -0.02456 0.00798
|
|
46 47 48 49 50
|
|
V V V V V
|
|
Eigenvalues -- 1.41357 1.50824 1.56233 1.60626 1.66310
|
|
1 1 N 1S -0.00846 0.01825 0.02255 0.01062 0.00147
|
|
2 2S 0.00128 -0.01372 -0.03211 -0.00897 -0.03569
|
|
3 3S -0.32449 0.27394 0.05033 0.13562 -0.82973
|
|
4 4S 1.86376 -2.06759 -0.68779 -0.94688 3.92700
|
|
5 5S 4.33018 -2.67185 -4.19063 -1.47028 12.01506
|
|
6 6PX -0.00579 0.01013 0.01359 -0.07926 0.00992
|
|
7 6PY -0.00210 -0.03122 -0.05512 -0.02131 -0.06201
|
|
8 6PZ 0.00233 0.04360 0.00524 -0.06534 -0.03635
|
|
9 7PX -0.03281 -0.01756 0.00369 -0.09915 -0.03845
|
|
10 7PY -0.04399 -0.08838 0.03156 -0.06315 0.01215
|
|
11 7PZ 0.04258 0.02905 0.06600 0.01926 -0.05060
|
|
12 8PX -0.83259 1.54223 -0.47264 1.05673 -0.40252
|
|
13 8PY 1.24946 -0.26102 -1.19192 -0.16001 0.03457
|
|
14 8PZ 0.13278 0.76536 -1.13244 0.23657 1.84612
|
|
15 9PX 0.10616 1.04555 0.51828 0.04595 -0.71689
|
|
16 9PY -0.36673 -1.04455 -1.42019 -0.63715 -1.85688
|
|
17 9PZ 0.15472 0.35047 -0.88127 -0.53335 1.73933
|
|
18 10D 0 -0.01202 -0.01168 0.01319 -0.01929 -0.01034
|
|
19 10D+1 0.01187 0.00166 0.00019 -0.00060 -0.00741
|
|
20 10D-1 -0.00725 -0.00676 -0.01842 -0.01684 -0.00256
|
|
21 10D+2 -0.02703 0.00113 -0.00627 0.01050 0.00163
|
|
22 10D-2 0.00062 0.01714 0.01609 0.00291 0.00300
|
|
23 11D 0 0.04558 0.03906 -0.07892 0.21994 0.12353
|
|
24 11D+1 0.10060 -0.01260 0.04270 0.00079 0.16294
|
|
25 11D-1 0.03525 0.02921 0.02710 0.15846 0.14346
|
|
26 11D+2 0.15474 -0.04595 0.07437 -0.16553 0.03216
|
|
27 11D-2 -0.03610 -0.02703 -0.09274 0.10744 -0.06118
|
|
28 12D 0 -0.28104 0.27445 -0.42393 -0.40681 -0.45158
|
|
29 12D+1 2.13399 0.24611 -0.03106 0.07369 -0.06726
|
|
30 12D-1 -0.10479 0.38379 -2.81953 -0.40634 1.83126
|
|
31 12D+2 -0.16645 -0.79141 -0.27080 0.02545 -1.21745
|
|
32 12D-2 -0.20951 2.81619 -0.07529 0.47490 -0.16520
|
|
33 13F 0 0.00229 -0.00089 0.01785 0.00527 0.01906
|
|
34 13F+1 0.00149 -0.01349 0.00511 -0.00441 0.01781
|
|
35 13F-1 -0.00507 -0.00952 0.01517 0.01746 -0.00046
|
|
36 13F+2 0.00102 0.00431 0.01584 0.00003 -0.01338
|
|
37 13F-2 -0.00123 -0.00266 0.00179 0.00174 0.01404
|
|
38 13F+3 -0.00309 -0.02615 -0.00718 0.01087 -0.01173
|
|
39 13F-3 -0.00531 0.00458 -0.00201 -0.01293 0.00115
|
|
40 14F 0 0.09648 -0.07638 -0.07830 -0.03098 0.00336
|
|
41 14F+1 0.12421 0.05672 -0.02841 0.02633 0.08423
|
|
42 14F-1 0.06864 0.11307 -0.22153 0.00731 0.29951
|
|
43 14F+2 -0.11006 -0.02474 -0.09059 0.08168 -0.04228
|
|
44 14F-2 0.18451 0.03176 -0.00510 0.00648 0.02607
|
|
45 14F+3 -0.02713 0.20385 0.05059 -0.00002 -0.02483
|
|
46 14F-3 0.12910 -0.13301 0.10027 -0.02917 0.17677
|
|
47 15G 0 -0.01086 -0.01781 0.00084 -0.00269 0.00495
|
|
48 15G+1 -0.00645 0.00581 -0.00511 0.00882 0.00653
|
|
49 15G-1 0.01207 -0.00150 -0.00822 -0.01121 0.02258
|
|
50 15G+2 0.01282 0.00324 0.01693 0.01098 -0.00980
|
|
51 15G-2 0.01867 -0.00412 -0.01436 0.00688 0.01547
|
|
52 15G+3 0.00136 -0.00849 0.00593 -0.00524 -0.00704
|
|
53 15G-3 -0.01739 0.00821 0.00688 0.00897 0.00276
|
|
54 15G+4 -0.00150 0.01066 -0.00082 -0.00152 0.01121
|
|
55 15G-4 -0.01198 -0.00031 -0.00371 0.00570 -0.00812
|
|
56 2 N 1S -0.00846 0.01825 -0.02255 0.01062 -0.00147
|
|
57 2S 0.00128 -0.01372 0.03211 -0.00897 0.03569
|
|
58 3S -0.32449 0.27394 -0.05033 0.13562 0.82973
|
|
59 4S 1.86376 -2.06759 0.68779 -0.94688 -3.92700
|
|
60 5S 4.33018 -2.67185 4.19063 -1.47028 -12.01506
|
|
61 6PX 0.00579 -0.01013 0.01359 0.07926 0.00992
|
|
62 6PY 0.00210 0.03122 -0.05512 0.02131 -0.06201
|
|
63 6PZ 0.00233 0.04360 -0.00524 -0.06534 0.03635
|
|
64 7PX 0.03281 0.01756 0.00369 0.09915 -0.03845
|
|
65 7PY 0.04399 0.08838 0.03156 0.06315 0.01215
|
|
66 7PZ 0.04258 0.02905 -0.06600 0.01926 0.05060
|
|
67 8PX 0.83259 -1.54223 -0.47264 -1.05673 -0.40252
|
|
68 8PY -1.24946 0.26102 -1.19192 0.16001 0.03457
|
|
69 8PZ 0.13278 0.76536 1.13244 0.23657 -1.84612
|
|
70 9PX -0.10616 -1.04555 0.51828 -0.04595 -0.71689
|
|
71 9PY 0.36673 1.04455 -1.42019 0.63715 -1.85688
|
|
72 9PZ 0.15472 0.35047 0.88127 -0.53335 -1.73933
|
|
73 10D 0 -0.01202 -0.01168 -0.01319 -0.01929 0.01034
|
|
74 10D+1 -0.01187 -0.00166 0.00019 0.00060 -0.00741
|
|
75 10D-1 0.00725 0.00676 -0.01842 0.01684 -0.00256
|
|
76 10D+2 -0.02703 0.00113 0.00627 0.01050 -0.00163
|
|
77 10D-2 0.00062 0.01714 -0.01609 0.00291 -0.00300
|
|
78 11D 0 0.04558 0.03906 0.07892 0.21994 -0.12353
|
|
79 11D+1 -0.10060 0.01260 0.04270 -0.00079 0.16294
|
|
80 11D-1 -0.03525 -0.02921 0.02710 -0.15846 0.14346
|
|
81 11D+2 0.15474 -0.04595 -0.07437 -0.16553 -0.03216
|
|
82 11D-2 -0.03610 -0.02703 0.09274 0.10744 0.06118
|
|
83 12D 0 -0.28104 0.27445 0.42393 -0.40681 0.45158
|
|
84 12D+1 -2.13399 -0.24611 -0.03106 -0.07369 -0.06726
|
|
85 12D-1 0.10479 -0.38379 -2.81953 0.40634 1.83126
|
|
86 12D+2 -0.16645 -0.79141 0.27080 0.02545 1.21745
|
|
87 12D-2 -0.20951 2.81619 0.07529 0.47490 0.16520
|
|
88 13F 0 0.00229 -0.00089 -0.01785 0.00527 -0.01906
|
|
89 13F+1 -0.00149 0.01349 0.00511 0.00441 0.01781
|
|
90 13F-1 0.00507 0.00952 0.01517 -0.01746 -0.00046
|
|
91 13F+2 0.00102 0.00431 -0.01584 0.00003 0.01338
|
|
92 13F-2 -0.00123 -0.00266 -0.00179 0.00174 -0.01404
|
|
93 13F+3 0.00309 0.02615 -0.00718 -0.01087 -0.01173
|
|
94 13F-3 0.00531 -0.00458 -0.00201 0.01293 0.00115
|
|
95 14F 0 0.09648 -0.07638 0.07830 -0.03098 -0.00336
|
|
96 14F+1 -0.12421 -0.05672 -0.02841 -0.02633 0.08423
|
|
97 14F-1 -0.06864 -0.11307 -0.22153 -0.00731 0.29951
|
|
98 14F+2 -0.11006 -0.02474 0.09059 0.08168 0.04228
|
|
99 14F-2 0.18451 0.03176 0.00510 0.00648 -0.02607
|
|
100 14F+3 0.02713 -0.20385 0.05059 0.00002 -0.02483
|
|
101 14F-3 -0.12910 0.13301 0.10027 0.02917 0.17677
|
|
102 15G 0 -0.01086 -0.01781 -0.00084 -0.00269 -0.00495
|
|
103 15G+1 0.00645 -0.00581 -0.00511 -0.00882 0.00653
|
|
104 15G-1 -0.01207 0.00150 -0.00822 0.01121 0.02258
|
|
105 15G+2 0.01282 0.00324 -0.01693 0.01098 0.00980
|
|
106 15G-2 0.01867 -0.00412 0.01436 0.00688 -0.01547
|
|
107 15G+3 -0.00136 0.00849 0.00593 0.00524 -0.00704
|
|
108 15G-3 0.01739 -0.00821 0.00688 -0.00897 0.00276
|
|
109 15G+4 -0.00150 0.01066 0.00082 -0.00152 -0.01121
|
|
110 15G-4 -0.01198 -0.00031 0.00371 0.00570 0.00812
|
|
111 3 H 1S 0.01435 0.00260 -0.01378 0.03006 0.06365
|
|
112 2S -0.12973 -0.28589 0.64281 0.75965 0.43210
|
|
113 3S -2.67075 -0.87363 4.59033 -0.41802 -7.30704
|
|
114 4S -0.23424 -0.21222 0.66809 0.72970 0.20438
|
|
115 5PX 0.00284 0.01564 -0.00647 0.00453 -0.03893
|
|
116 5PY -0.00027 0.01257 -0.01808 -0.03168 -0.00894
|
|
117 5PZ -0.01560 0.00353 0.00166 -0.04686 -0.08427
|
|
118 6PX 0.04309 -0.06416 -0.02465 -0.04710 0.29975
|
|
119 6PY 0.05845 -0.02516 -0.04339 0.18504 0.17316
|
|
120 6PZ 0.25852 0.06059 -0.25046 0.27790 0.76979
|
|
121 7PX -0.89413 -0.23598 -0.87595 -0.22492 0.92602
|
|
122 7PY 0.60931 0.04340 0.24583 0.01998 0.05711
|
|
123 7PZ 1.10771 0.79814 -2.05883 0.04639 2.22821
|
|
124 8D 0 -0.00522 0.00602 -0.00552 -0.00632 -0.01334
|
|
125 8D+1 -0.01560 -0.00232 0.00563 -0.00142 -0.00028
|
|
126 8D-1 -0.00038 -0.00435 0.01752 -0.00916 -0.01482
|
|
127 8D+2 -0.00499 -0.00207 -0.01383 -0.01214 0.01721
|
|
128 8D-2 -0.00785 -0.00478 -0.00147 0.00328 -0.01456
|
|
129 9D 0 -0.19801 -0.14137 0.22319 -0.17067 -0.41441
|
|
130 9D+1 0.14689 0.07756 0.06570 0.02482 -0.27288
|
|
131 9D-1 -0.10644 0.07921 -0.08377 -0.11738 -0.13928
|
|
132 9D+2 0.07818 0.00278 0.16422 0.13201 -0.18593
|
|
133 9D-2 0.06715 0.08853 0.02123 -0.02210 0.04192
|
|
134 10F 0 0.02646 0.01660 -0.00690 0.02791 0.03373
|
|
135 10F+1 -0.00800 -0.00673 -0.00554 0.00568 0.02780
|
|
136 10F-1 0.01043 -0.00825 0.00207 0.03329 0.03497
|
|
137 10F+2 -0.01223 0.00444 -0.02163 -0.00979 0.01337
|
|
138 10F-2 -0.00843 -0.01542 0.00293 0.00575 0.00862
|
|
139 10F+3 0.00039 -0.00384 -0.00966 -0.00217 0.00774
|
|
140 10F-3 -0.00970 -0.00070 -0.01263 -0.00686 0.00389
|
|
141 4 H 1S 0.02452 -0.01656 0.02591 -0.04355 0.03104
|
|
142 2S -0.15651 0.50287 0.19665 -0.54304 0.51639
|
|
143 3S -3.77780 5.03358 0.31526 2.57806 -3.37977
|
|
144 4S -0.24910 0.69001 0.61666 -0.48858 0.01474
|
|
145 5PX 0.02807 -0.01456 0.02704 -0.05706 0.04832
|
|
146 5PY 0.00052 -0.02281 0.00556 0.02769 -0.01026
|
|
147 5PZ -0.01081 -0.00900 0.00393 -0.00851 0.04275
|
|
148 6PX -0.38623 0.28974 -0.22256 0.44241 -0.35763
|
|
149 6PY 0.05771 0.01490 -0.01421 -0.20590 0.08398
|
|
150 6PZ -0.00625 0.09766 -0.04567 0.04165 -0.28164
|
|
151 7PX -1.70481 2.43193 -0.11239 0.81084 -0.60436
|
|
152 7PY 0.66551 0.10296 -0.04887 0.13227 0.06968
|
|
153 7PZ 0.59075 0.79153 0.39350 0.31858 -0.56452
|
|
154 8D 0 0.00046 -0.01691 0.00478 -0.00695 0.01033
|
|
155 8D+1 -0.01561 -0.00034 -0.00602 0.00261 0.00358
|
|
156 8D-1 0.00829 -0.00100 0.00502 0.00874 0.01312
|
|
157 8D+2 -0.00722 -0.01880 0.00139 0.00799 -0.00509
|
|
158 8D-2 0.00015 -0.01374 0.00370 -0.01307 0.00440
|
|
159 9D 0 0.20436 0.06486 0.04423 -0.13348 0.00172
|
|
160 9D+1 0.15020 0.11854 0.03554 0.07679 -0.23002
|
|
161 9D-1 -0.07252 -0.00945 -0.04899 -0.08694 -0.05085
|
|
162 9D+2 -0.23640 0.33114 -0.16690 0.20927 -0.17968
|
|
163 9D-2 0.10182 0.02441 -0.01969 -0.10305 0.06568
|
|
164 10F 0 -0.00556 0.00380 0.00393 -0.01056 0.01040
|
|
165 10F+1 0.03129 0.00879 0.01533 -0.01671 0.00218
|
|
166 10F-1 -0.01022 -0.00600 0.00126 0.01057 -0.00764
|
|
167 10F+2 0.00924 0.00934 0.00236 0.01522 -0.02231
|
|
168 10F-2 -0.00644 -0.00196 -0.00374 -0.00658 0.00500
|
|
169 10F+3 -0.02243 0.01189 -0.01852 0.02248 -0.01886
|
|
170 10F-3 0.00502 -0.01205 0.00981 -0.02583 0.01543
|
|
171 5 H 1S 0.01435 0.00260 0.01378 0.03006 -0.06365
|
|
172 2S -0.12973 -0.28589 -0.64281 0.75965 -0.43210
|
|
173 3S -2.67075 -0.87363 -4.59033 -0.41802 7.30704
|
|
174 4S -0.23424 -0.21222 -0.66809 0.72970 -0.20438
|
|
175 5PX -0.00284 -0.01564 -0.00647 -0.00453 -0.03893
|
|
176 5PY 0.00027 -0.01257 -0.01808 0.03168 -0.00894
|
|
177 5PZ -0.01560 0.00353 -0.00166 -0.04686 0.08427
|
|
178 6PX -0.04309 0.06416 -0.02465 0.04710 0.29975
|
|
179 6PY -0.05845 0.02516 -0.04339 -0.18504 0.17316
|
|
180 6PZ 0.25852 0.06059 0.25046 0.27790 -0.76979
|
|
181 7PX 0.89413 0.23598 -0.87595 0.22492 0.92602
|
|
182 7PY -0.60931 -0.04340 0.24583 -0.01998 0.05711
|
|
183 7PZ 1.10771 0.79814 2.05883 0.04639 -2.22821
|
|
184 8D 0 -0.00522 0.00602 0.00552 -0.00632 0.01334
|
|
185 8D+1 0.01560 0.00232 0.00563 0.00142 -0.00028
|
|
186 8D-1 0.00038 0.00435 0.01752 0.00916 -0.01482
|
|
187 8D+2 -0.00499 -0.00207 0.01383 -0.01214 -0.01721
|
|
188 8D-2 -0.00785 -0.00478 0.00147 0.00328 0.01456
|
|
189 9D 0 -0.19801 -0.14137 -0.22319 -0.17067 0.41441
|
|
190 9D+1 -0.14689 -0.07756 0.06570 -0.02482 -0.27288
|
|
191 9D-1 0.10644 -0.07921 -0.08377 0.11738 -0.13928
|
|
192 9D+2 0.07818 0.00278 -0.16422 0.13201 0.18593
|
|
193 9D-2 0.06715 0.08853 -0.02123 -0.02210 -0.04192
|
|
194 10F 0 0.02646 0.01660 0.00690 0.02791 -0.03373
|
|
195 10F+1 0.00800 0.00673 -0.00554 -0.00568 0.02780
|
|
196 10F-1 -0.01043 0.00825 0.00207 -0.03329 0.03497
|
|
197 10F+2 -0.01223 0.00444 0.02163 -0.00979 -0.01337
|
|
198 10F-2 -0.00843 -0.01542 -0.00293 0.00575 -0.00862
|
|
199 10F+3 -0.00039 0.00384 -0.00966 0.00217 0.00774
|
|
200 10F-3 0.00970 0.00070 -0.01263 0.00686 0.00389
|
|
201 6 H 1S 0.02452 -0.01656 -0.02591 -0.04355 -0.03104
|
|
202 2S -0.15651 0.50287 -0.19665 -0.54304 -0.51639
|
|
203 3S -3.77780 5.03358 -0.31526 2.57806 3.37977
|
|
204 4S -0.24910 0.69001 -0.61666 -0.48858 -0.01474
|
|
205 5PX -0.02807 0.01456 0.02704 0.05706 0.04832
|
|
206 5PY -0.00052 0.02281 0.00556 -0.02769 -0.01026
|
|
207 5PZ -0.01081 -0.00900 -0.00393 -0.00851 -0.04275
|
|
208 6PX 0.38623 -0.28974 -0.22256 -0.44241 -0.35763
|
|
209 6PY -0.05771 -0.01490 -0.01421 0.20590 0.08398
|
|
210 6PZ -0.00625 0.09766 0.04567 0.04165 0.28164
|
|
211 7PX 1.70481 -2.43193 -0.11239 -0.81084 -0.60436
|
|
212 7PY -0.66551 -0.10296 -0.04887 -0.13227 0.06968
|
|
213 7PZ 0.59075 0.79153 -0.39350 0.31858 0.56452
|
|
214 8D 0 0.00046 -0.01691 -0.00478 -0.00695 -0.01033
|
|
215 8D+1 0.01561 0.00034 -0.00602 -0.00261 0.00358
|
|
216 8D-1 -0.00829 0.00100 0.00502 -0.00874 0.01312
|
|
217 8D+2 -0.00722 -0.01880 -0.00139 0.00799 0.00509
|
|
218 8D-2 0.00015 -0.01374 -0.00370 -0.01307 -0.00440
|
|
219 9D 0 0.20436 0.06486 -0.04423 -0.13348 -0.00172
|
|
220 9D+1 -0.15020 -0.11854 0.03554 -0.07679 -0.23002
|
|
221 9D-1 0.07252 0.00945 -0.04899 0.08694 -0.05085
|
|
222 9D+2 -0.23640 0.33114 0.16690 0.20927 0.17968
|
|
223 9D-2 0.10182 0.02441 0.01969 -0.10305 -0.06568
|
|
224 10F 0 -0.00556 0.00380 -0.00393 -0.01056 -0.01040
|
|
225 10F+1 -0.03129 -0.00879 0.01533 0.01671 0.00218
|
|
226 10F-1 0.01022 0.00600 0.00126 -0.01057 -0.00764
|
|
227 10F+2 0.00924 0.00934 -0.00236 0.01522 0.02231
|
|
228 10F-2 -0.00644 -0.00196 0.00374 -0.00658 -0.00500
|
|
229 10F+3 0.02243 -0.01189 -0.01852 -0.02248 -0.01886
|
|
230 10F-3 -0.00502 0.01205 0.00981 0.02583 0.01543
|
|
51 52 53 54 55
|
|
V V V V V
|
|
Eigenvalues -- 1.77316 1.96190 2.03332 2.16749 2.17124
|
|
1 1 N 1S -0.02217 -0.00158 0.01194 -0.02312 0.01288
|
|
2 2S 0.04383 0.00700 -0.02991 0.04269 -0.01802
|
|
3 3S 0.45192 0.09364 0.11787 0.03486 0.05191
|
|
4 4S -2.51680 -0.38125 -1.20416 0.30989 -0.28056
|
|
5 5S -4.64910 -1.81244 -3.88813 -0.74997 -0.97691
|
|
6 6PX -0.02084 -0.07753 -0.00907 0.02274 -0.03809
|
|
7 6PY 0.04141 -0.00950 0.06576 -0.01267 -0.03560
|
|
8 6PZ 0.01385 -0.06659 -0.01607 -0.03253 0.01411
|
|
9 7PX 0.00756 0.01122 -0.11271 0.18235 -0.29429
|
|
10 7PY 0.05026 -0.03099 0.39854 0.06673 -0.10548
|
|
11 7PZ -0.03915 -0.05311 -0.11829 -0.24938 0.18867
|
|
12 8PX 1.37086 1.53563 1.55881 0.15452 1.10386
|
|
13 8PY -1.39237 0.17022 -1.33633 -0.58648 -0.06807
|
|
14 8PZ -0.90048 1.55604 0.38559 0.73909 -0.06148
|
|
15 9PX 1.43571 0.73308 1.17531 0.65920 0.02957
|
|
16 9PY 0.27334 0.22103 -0.14755 0.01312 -0.31446
|
|
17 9PZ -1.10055 0.27348 -0.37035 -0.48888 0.21632
|
|
18 10D 0 0.00467 -0.02546 -0.00138 -0.00311 -0.00360
|
|
19 10D+1 0.01382 0.00132 0.01795 0.01017 -0.01364
|
|
20 10D-1 0.01875 -0.01871 0.00299 -0.00605 0.00033
|
|
21 10D+2 0.01298 0.01479 0.01623 -0.00202 0.00621
|
|
22 10D-2 -0.01097 -0.02541 -0.00600 -0.00213 -0.00539
|
|
23 11D 0 -0.06662 0.32496 0.04890 0.04693 0.07091
|
|
24 11D+1 -0.14656 -0.02093 -0.09109 -0.04539 0.14244
|
|
25 11D-1 -0.14350 0.24296 -0.04468 0.04017 -0.04664
|
|
26 11D+2 -0.19306 -0.21914 -0.08805 -0.03808 -0.00580
|
|
27 11D-2 0.11661 0.22727 0.12727 -0.05144 0.03323
|
|
28 12D 0 0.11254 -0.75511 0.26945 -0.17955 0.06380
|
|
29 12D+1 0.79647 0.02549 -0.30598 0.28779 -0.30800
|
|
30 12D-1 -0.15147 -0.81843 0.09574 0.30223 -0.19998
|
|
31 12D+2 0.14544 0.48327 0.04242 -0.48183 -0.17541
|
|
32 12D-2 0.33931 -0.22864 0.59448 0.18799 0.71168
|
|
33 13F 0 -0.01797 0.01620 -0.00401 0.00093 -0.00186
|
|
34 13F+1 -0.02275 -0.00400 0.00017 0.01045 0.00005
|
|
35 13F-1 -0.00235 0.02948 0.01382 -0.00426 0.00167
|
|
36 13F+2 0.00949 0.01428 0.00556 -0.00150 0.00327
|
|
37 13F-2 -0.01496 0.00001 -0.00514 -0.01063 -0.00500
|
|
38 13F+3 0.01667 0.01310 0.00855 0.00510 -0.00182
|
|
39 13F-3 -0.00516 -0.01737 0.00760 0.00702 -0.00354
|
|
40 14F 0 -0.02171 -0.17920 -0.10912 -0.02960 -0.01549
|
|
41 14F+1 -0.00494 0.07018 -0.05870 -0.07233 0.04611
|
|
42 14F-1 -0.10076 -0.03343 -0.12118 0.07609 0.00380
|
|
43 14F+2 0.05224 -0.04121 0.06947 0.03085 0.00158
|
|
44 14F-2 0.03151 0.01615 -0.05452 0.04380 0.07265
|
|
45 14F+3 -0.02271 -0.00081 -0.03240 -0.10528 0.03117
|
|
46 14F-3 -0.10375 -0.04250 -0.21626 -0.09844 0.00263
|
|
47 15G 0 -0.00375 -0.00849 -0.01267 0.00817 -0.00932
|
|
48 15G+1 0.00680 0.00873 0.02060 0.01055 0.00467
|
|
49 15G-1 -0.01013 0.00237 -0.01213 0.00512 -0.00658
|
|
50 15G+2 0.01366 -0.00842 0.00347 -0.01319 0.00513
|
|
51 15G-2 0.00239 0.01499 -0.00439 0.00588 0.00478
|
|
52 15G+3 0.00255 -0.00769 -0.00210 0.00801 -0.01854
|
|
53 15G-3 0.00238 0.02268 0.02538 0.00763 0.00704
|
|
54 15G+4 0.00415 -0.00010 0.00166 0.01321 -0.00030
|
|
55 15G-4 0.01662 -0.00260 0.02250 0.00938 0.01092
|
|
56 2 N 1S -0.02217 0.00158 0.01194 0.02312 0.01288
|
|
57 2S 0.04383 -0.00700 -0.02991 -0.04269 -0.01802
|
|
58 3S 0.45192 -0.09364 0.11787 -0.03486 0.05191
|
|
59 4S -2.51680 0.38125 -1.20416 -0.30989 -0.28056
|
|
60 5S -4.64910 1.81244 -3.88813 0.74997 -0.97691
|
|
61 6PX 0.02084 -0.07753 0.00907 0.02274 0.03809
|
|
62 6PY -0.04141 -0.00950 -0.06576 -0.01267 0.03560
|
|
63 6PZ 0.01385 0.06659 -0.01607 0.03253 0.01411
|
|
64 7PX -0.00756 0.01122 0.11271 0.18235 0.29429
|
|
65 7PY -0.05026 -0.03099 -0.39854 0.06673 0.10548
|
|
66 7PZ -0.03915 0.05311 -0.11829 0.24938 0.18867
|
|
67 8PX -1.37086 1.53563 -1.55881 0.15452 -1.10386
|
|
68 8PY 1.39237 0.17022 1.33633 -0.58648 0.06807
|
|
69 8PZ -0.90048 -1.55604 0.38559 -0.73909 -0.06148
|
|
70 9PX -1.43571 0.73308 -1.17531 0.65920 -0.02957
|
|
71 9PY -0.27334 0.22103 0.14755 0.01312 0.31446
|
|
72 9PZ -1.10055 -0.27348 -0.37035 0.48888 0.21632
|
|
73 10D 0 0.00467 0.02546 -0.00138 0.00311 -0.00360
|
|
74 10D+1 -0.01382 0.00132 -0.01795 0.01017 0.01364
|
|
75 10D-1 -0.01875 -0.01871 -0.00299 -0.00605 -0.00033
|
|
76 10D+2 0.01298 -0.01479 0.01623 0.00202 0.00621
|
|
77 10D-2 -0.01097 0.02541 -0.00600 0.00213 -0.00539
|
|
78 11D 0 -0.06662 -0.32496 0.04890 -0.04693 0.07091
|
|
79 11D+1 0.14656 -0.02093 0.09109 -0.04539 -0.14244
|
|
80 11D-1 0.14350 0.24296 0.04468 0.04017 0.04664
|
|
81 11D+2 -0.19306 0.21914 -0.08805 0.03808 -0.00580
|
|
82 11D-2 0.11661 -0.22727 0.12727 0.05144 0.03323
|
|
83 12D 0 0.11254 0.75511 0.26945 0.17955 0.06380
|
|
84 12D+1 -0.79647 0.02549 0.30598 0.28779 0.30800
|
|
85 12D-1 0.15147 -0.81843 -0.09574 0.30223 0.19998
|
|
86 12D+2 0.14544 -0.48327 0.04242 0.48183 -0.17541
|
|
87 12D-2 0.33931 0.22864 0.59448 -0.18799 0.71168
|
|
88 13F 0 -0.01797 -0.01620 -0.00401 -0.00093 -0.00186
|
|
89 13F+1 0.02275 -0.00400 -0.00017 0.01045 -0.00005
|
|
90 13F-1 0.00235 0.02948 -0.01382 -0.00426 -0.00167
|
|
91 13F+2 0.00949 -0.01428 0.00556 0.00150 0.00327
|
|
92 13F-2 -0.01496 -0.00001 -0.00514 0.01063 -0.00500
|
|
93 13F+3 -0.01667 0.01310 -0.00855 0.00510 0.00182
|
|
94 13F-3 0.00516 -0.01737 -0.00760 0.00702 0.00354
|
|
95 14F 0 -0.02171 0.17920 -0.10912 0.02960 -0.01549
|
|
96 14F+1 0.00494 0.07018 0.05870 -0.07233 -0.04611
|
|
97 14F-1 0.10076 -0.03343 0.12118 0.07609 -0.00380
|
|
98 14F+2 0.05224 0.04121 0.06947 -0.03085 0.00158
|
|
99 14F-2 0.03151 -0.01615 -0.05452 -0.04380 0.07265
|
|
100 14F+3 0.02271 -0.00081 0.03240 -0.10528 -0.03117
|
|
101 14F-3 0.10375 -0.04250 0.21626 -0.09844 -0.00263
|
|
102 15G 0 -0.00375 0.00849 -0.01267 -0.00817 -0.00932
|
|
103 15G+1 -0.00680 0.00873 -0.02060 0.01055 -0.00467
|
|
104 15G-1 0.01013 0.00237 0.01213 0.00512 0.00658
|
|
105 15G+2 0.01366 0.00842 0.00347 0.01319 0.00513
|
|
106 15G-2 0.00239 -0.01499 -0.00439 -0.00588 0.00478
|
|
107 15G+3 -0.00255 -0.00769 0.00210 0.00801 0.01854
|
|
108 15G-3 -0.00238 0.02268 -0.02538 0.00763 -0.00704
|
|
109 15G+4 0.00415 0.00010 0.00166 -0.01321 -0.00030
|
|
110 15G-4 0.01662 0.00260 0.02250 -0.00938 0.01092
|
|
111 3 H 1S -0.03519 0.02351 0.00073 0.00455 -0.00114
|
|
112 2S -0.70183 0.95147 -0.02845 -0.26484 0.12551
|
|
113 3S 4.07169 -2.27000 1.15397 -0.11374 -0.29307
|
|
114 4S 0.10458 0.03560 0.23581 -0.10626 0.01607
|
|
115 5PX 0.04463 0.00448 -0.00759 0.01200 -0.01151
|
|
116 5PY 0.00075 -0.02197 0.01561 -0.00662 0.02401
|
|
117 5PZ 0.06442 -0.06235 -0.00204 -0.00318 -0.00962
|
|
118 6PX -0.28400 -0.05521 0.03236 -0.05387 0.09653
|
|
119 6PY -0.03684 0.13717 -0.12460 0.07555 -0.19747
|
|
120 6PZ -0.46690 0.39864 -0.08527 0.10960 0.08006
|
|
121 7PX -0.76526 -0.00995 -0.22008 -0.10024 -0.11620
|
|
122 7PY -0.81026 0.70296 -0.10473 -0.04668 0.26736
|
|
123 7PZ -0.81827 1.09802 -0.16940 0.31720 0.18803
|
|
124 8D 0 0.00763 -0.00152 0.00889 -0.00841 0.00760
|
|
125 8D+1 -0.00060 -0.00691 -0.00636 0.01174 -0.02612
|
|
126 8D-1 0.00307 -0.01210 0.01442 -0.00310 0.00191
|
|
127 8D+2 -0.01958 -0.00491 0.05674 -0.02415 -0.00462
|
|
128 8D-2 -0.00061 0.00470 -0.01682 -0.05811 0.04880
|
|
129 9D 0 0.21569 -0.43670 0.01930 -0.01045 -0.20478
|
|
130 9D+1 0.27515 -0.00109 0.11375 -0.15586 0.30440
|
|
131 9D-1 0.11361 -0.13423 -0.09177 0.00951 -0.05590
|
|
132 9D+2 0.20737 0.09006 -0.38592 0.16177 0.06495
|
|
133 9D-2 0.07919 -0.03719 0.14490 0.41485 -0.35245
|
|
134 10F 0 -0.01910 0.05146 -0.00669 -0.00370 0.02985
|
|
135 10F+1 -0.03134 0.02486 -0.01238 0.00735 -0.01966
|
|
136 10F-1 -0.02438 0.04397 0.00884 -0.00814 0.01866
|
|
137 10F+2 -0.01354 -0.01311 -0.01318 0.00385 -0.01913
|
|
138 10F-2 -0.01586 0.00610 -0.00364 0.00468 -0.00369
|
|
139 10F+3 -0.00017 0.00286 0.00613 -0.00429 -0.00472
|
|
140 10F-3 -0.00427 -0.00551 0.00826 0.00010 0.00172
|
|
141 4 H 1S -0.04444 -0.02868 -0.03350 -0.00388 -0.01428
|
|
142 2S -0.79956 -0.99435 0.01781 0.01633 0.28084
|
|
143 3S 4.98556 3.79844 4.37063 1.21055 1.38683
|
|
144 4S -0.08942 0.07394 0.27258 0.22128 0.13484
|
|
145 5PX -0.07757 -0.07298 -0.02966 -0.01851 -0.02169
|
|
146 5PY 0.00008 0.00896 0.03093 -0.04148 -0.00195
|
|
147 5PZ -0.03483 -0.00784 0.01447 0.00564 0.00929
|
|
148 6PX 0.56896 0.50224 0.48572 0.17221 0.26727
|
|
149 6PY -0.02200 -0.08224 -0.28475 0.28490 -0.05664
|
|
150 6PZ 0.21395 0.04048 -0.02247 -0.01763 -0.04456
|
|
151 7PX 1.26448 1.47273 1.61322 0.32680 0.51980
|
|
152 7PY -0.59794 -0.77734 -0.04392 -0.24249 -0.07306
|
|
153 7PZ 0.89847 0.23593 0.41227 0.27540 0.09306
|
|
154 8D 0 -0.02202 -0.00948 0.02379 -0.03459 -0.00839
|
|
155 8D+1 -0.00542 0.00696 0.01158 0.02382 -0.00762
|
|
156 8D-1 -0.00412 0.00287 -0.02066 0.01408 -0.06838
|
|
157 8D+2 0.00281 -0.00131 0.04198 -0.02608 0.00564
|
|
158 8D-2 -0.00323 -0.00997 -0.00971 0.01942 -0.00469
|
|
159 9D 0 0.00606 -0.20973 -0.39837 0.21413 0.04933
|
|
160 9D+1 0.26329 0.02035 -0.05016 -0.19769 0.14620
|
|
161 9D-1 0.00498 -0.03778 0.16027 -0.05777 0.51850
|
|
162 9D+2 0.33482 0.43204 0.06724 0.36099 0.02247
|
|
163 9D-2 -0.10815 -0.16746 -0.01233 -0.06744 -0.02866
|
|
164 10F 0 -0.01575 -0.00486 0.00021 0.01229 -0.00264
|
|
165 10F+1 -0.01163 -0.04320 -0.02273 -0.01439 0.01584
|
|
166 10F-1 0.00664 0.01536 0.00245 -0.00345 0.00491
|
|
167 10F+2 0.02191 0.02166 -0.00166 0.00510 0.00921
|
|
168 10F-2 -0.00743 -0.00683 0.01051 0.01128 0.00342
|
|
169 10F+3 0.03049 0.04147 0.03415 0.02296 -0.01182
|
|
170 10F-3 -0.02157 -0.04639 0.01198 -0.00089 0.00308
|
|
171 5 H 1S -0.03519 -0.02351 0.00073 -0.00455 -0.00114
|
|
172 2S -0.70183 -0.95147 -0.02845 0.26484 0.12551
|
|
173 3S 4.07169 2.27000 1.15397 0.11374 -0.29307
|
|
174 4S 0.10458 -0.03560 0.23581 0.10626 0.01607
|
|
175 5PX -0.04463 0.00448 0.00759 0.01200 0.01151
|
|
176 5PY -0.00075 -0.02197 -0.01561 -0.00662 -0.02401
|
|
177 5PZ 0.06442 0.06235 -0.00204 0.00318 -0.00962
|
|
178 6PX 0.28400 -0.05521 -0.03236 -0.05387 -0.09653
|
|
179 6PY 0.03684 0.13717 0.12460 0.07555 0.19747
|
|
180 6PZ -0.46690 -0.39864 -0.08527 -0.10960 0.08006
|
|
181 7PX 0.76526 -0.00995 0.22008 -0.10024 0.11620
|
|
182 7PY 0.81026 0.70296 0.10473 -0.04668 -0.26736
|
|
183 7PZ -0.81827 -1.09802 -0.16940 -0.31720 0.18803
|
|
184 8D 0 0.00763 0.00152 0.00889 0.00841 0.00760
|
|
185 8D+1 0.00060 -0.00691 0.00636 0.01174 0.02612
|
|
186 8D-1 -0.00307 -0.01210 -0.01442 -0.00310 -0.00191
|
|
187 8D+2 -0.01958 0.00491 0.05674 0.02415 -0.00462
|
|
188 8D-2 -0.00061 -0.00470 -0.01682 0.05811 0.04880
|
|
189 9D 0 0.21569 0.43670 0.01930 0.01045 -0.20478
|
|
190 9D+1 -0.27515 -0.00109 -0.11375 -0.15586 -0.30440
|
|
191 9D-1 -0.11361 -0.13423 0.09177 0.00951 0.05590
|
|
192 9D+2 0.20737 -0.09006 -0.38592 -0.16177 0.06495
|
|
193 9D-2 0.07919 0.03719 0.14490 -0.41485 -0.35245
|
|
194 10F 0 -0.01910 -0.05146 -0.00669 0.00370 0.02985
|
|
195 10F+1 0.03134 0.02486 0.01238 0.00735 0.01966
|
|
196 10F-1 0.02438 0.04397 -0.00884 -0.00814 -0.01866
|
|
197 10F+2 -0.01354 0.01311 -0.01318 -0.00385 -0.01913
|
|
198 10F-2 -0.01586 -0.00610 -0.00364 -0.00468 -0.00369
|
|
199 10F+3 0.00017 0.00286 -0.00613 -0.00429 0.00472
|
|
200 10F-3 0.00427 -0.00551 -0.00826 0.00010 -0.00172
|
|
201 6 H 1S -0.04444 0.02868 -0.03350 0.00388 -0.01428
|
|
202 2S -0.79956 0.99435 0.01781 -0.01633 0.28084
|
|
203 3S 4.98556 -3.79844 4.37063 -1.21055 1.38683
|
|
204 4S -0.08942 -0.07394 0.27258 -0.22128 0.13484
|
|
205 5PX 0.07757 -0.07298 0.02966 -0.01851 0.02169
|
|
206 5PY -0.00008 0.00896 -0.03093 -0.04148 0.00195
|
|
207 5PZ -0.03483 0.00784 0.01447 -0.00564 0.00929
|
|
208 6PX -0.56896 0.50224 -0.48572 0.17221 -0.26727
|
|
209 6PY 0.02200 -0.08224 0.28475 0.28490 0.05664
|
|
210 6PZ 0.21395 -0.04048 -0.02247 0.01763 -0.04456
|
|
211 7PX -1.26448 1.47273 -1.61322 0.32680 -0.51980
|
|
212 7PY 0.59794 -0.77734 0.04392 -0.24249 0.07306
|
|
213 7PZ 0.89847 -0.23593 0.41227 -0.27540 0.09306
|
|
214 8D 0 -0.02202 0.00948 0.02379 0.03459 -0.00839
|
|
215 8D+1 0.00542 0.00696 -0.01158 0.02382 0.00762
|
|
216 8D-1 0.00412 0.00287 0.02066 0.01408 0.06838
|
|
217 8D+2 0.00281 0.00131 0.04198 0.02608 0.00564
|
|
218 8D-2 -0.00323 0.00997 -0.00971 -0.01942 -0.00469
|
|
219 9D 0 0.00606 0.20973 -0.39837 -0.21413 0.04933
|
|
220 9D+1 -0.26329 0.02035 0.05016 -0.19769 -0.14620
|
|
221 9D-1 -0.00498 -0.03778 -0.16027 -0.05777 -0.51850
|
|
222 9D+2 0.33482 -0.43204 0.06724 -0.36099 0.02247
|
|
223 9D-2 -0.10815 0.16746 -0.01233 0.06744 -0.02866
|
|
224 10F 0 -0.01575 0.00486 0.00021 -0.01229 -0.00264
|
|
225 10F+1 0.01163 -0.04320 0.02273 -0.01439 -0.01584
|
|
226 10F-1 -0.00664 0.01536 -0.00245 -0.00345 -0.00491
|
|
227 10F+2 0.02191 -0.02166 -0.00166 -0.00510 0.00921
|
|
228 10F-2 -0.00743 0.00683 0.01051 -0.01128 0.00342
|
|
229 10F+3 -0.03049 0.04147 -0.03415 0.02296 0.01182
|
|
230 10F-3 0.02157 -0.04639 -0.01198 -0.00089 -0.00308
|
|
56 57 58 59 60
|
|
V V V V V
|
|
Eigenvalues -- 2.24714 2.30382 2.33632 2.34373 2.35057
|
|
1 1 N 1S -0.00472 0.00625 -0.00180 0.01816 -0.00992
|
|
2 2S 0.01402 -0.01814 0.00665 -0.02819 0.02461
|
|
3 3S 0.12788 0.02595 0.08148 0.24814 -0.08284
|
|
4 4S -0.58419 -0.74045 -0.26722 -1.82848 0.95993
|
|
5 5S 0.54896 -0.38575 0.54033 -3.00356 3.43118
|
|
6 6PX 0.00070 -0.03040 -0.02779 -0.00223 0.03598
|
|
7 6PY 0.03321 0.02533 -0.02590 0.00064 0.01239
|
|
8 6PZ 0.00081 -0.02840 0.01234 0.05600 -0.02504
|
|
9 7PX 0.06835 -0.08874 -0.27598 -0.09975 0.27427
|
|
10 7PY 0.20715 0.15587 -0.13446 0.04452 0.04435
|
|
11 7PZ 0.00783 -0.06622 -0.01526 0.39850 -0.21707
|
|
12 8PX -0.35313 1.06207 1.02471 -0.09467 -1.32810
|
|
13 8PY -0.77898 -0.80103 0.47722 -0.96817 0.47651
|
|
14 8PZ -0.31258 0.96770 0.39143 -2.26300 0.74619
|
|
15 9PX 0.14146 0.36496 -0.37906 -0.12487 -0.15639
|
|
16 9PY -0.27821 -0.76589 0.32951 -0.59477 -0.24650
|
|
17 9PZ -0.23517 -0.15513 0.17418 -0.75772 0.08356
|
|
18 10D 0 0.00202 -0.01007 -0.00311 0.00731 -0.00032
|
|
19 10D+1 0.01338 0.01460 -0.00036 0.00756 0.00592
|
|
20 10D-1 0.00751 0.00135 0.00034 0.01798 0.00322
|
|
21 10D+2 0.00597 0.00666 0.01352 -0.00129 0.00284
|
|
22 10D-2 -0.00583 -0.00479 -0.00332 0.00575 0.00797
|
|
23 11D 0 -0.03906 0.15722 0.01315 -0.02795 0.00142
|
|
24 11D+1 0.00238 -0.08652 0.00818 -0.05385 0.02648
|
|
25 11D-1 -0.08766 -0.06998 -0.06391 -0.12958 -0.02907
|
|
26 11D+2 -0.01632 -0.08220 -0.02800 0.04402 -0.01640
|
|
27 11D-2 0.07186 0.04233 -0.06954 -0.00438 -0.10636
|
|
28 12D 0 0.08341 -0.17602 -0.13654 -0.09338 0.08864
|
|
29 12D+1 -0.16113 -0.29788 -0.06724 -0.29713 -0.04523
|
|
30 12D-1 0.79546 0.17796 0.11668 -0.67087 0.25311
|
|
31 12D+2 -0.25729 0.27440 -0.18974 -0.29021 0.16294
|
|
32 12D-2 -0.12524 0.08712 -0.42955 -0.24495 -0.62007
|
|
33 13F 0 -0.00807 -0.00190 -0.00461 -0.00429 0.00423
|
|
34 13F+1 -0.00467 -0.00223 -0.00501 0.00745 0.00388
|
|
35 13F-1 -0.00675 0.00241 0.00092 -0.00258 0.00125
|
|
36 13F+2 -0.00347 -0.01117 0.00295 0.00158 0.00151
|
|
37 13F-2 -0.00945 0.00647 -0.00138 0.00410 -0.00031
|
|
38 13F+3 -0.00260 0.00402 -0.01170 0.00569 -0.00410
|
|
39 13F-3 -0.00122 -0.00619 -0.01050 0.00977 -0.00860
|
|
40 14F 0 0.07701 0.02136 -0.07670 0.11051 0.03286
|
|
41 14F+1 -0.09982 0.11143 0.16541 -0.30411 0.00266
|
|
42 14F-1 0.05006 -0.07627 -0.07812 -0.12528 -0.00319
|
|
43 14F+2 -0.00234 0.32228 0.15779 -0.02577 -0.02386
|
|
44 14F-2 -0.01854 -0.17794 0.07418 -0.13870 -0.01551
|
|
45 14F+3 0.02057 0.01004 0.27302 -0.01688 0.09384
|
|
46 14F-3 -0.07246 0.00854 0.18771 -0.15200 0.19642
|
|
47 15G 0 0.01331 0.01973 -0.00744 -0.00913 0.00994
|
|
48 15G+1 -0.01310 0.03063 0.03785 -0.02387 0.00308
|
|
49 15G-1 -0.00599 -0.01457 -0.00007 -0.01885 0.00929
|
|
50 15G+2 0.00295 0.01339 0.00995 0.02070 -0.01361
|
|
51 15G-2 -0.02061 0.00545 0.01685 -0.03877 0.00112
|
|
52 15G+3 0.02058 -0.00259 -0.01854 0.01552 -0.00122
|
|
53 15G-3 0.00117 0.02306 0.01804 -0.01179 -0.00798
|
|
54 15G+4 0.01054 0.00812 -0.02646 0.00675 0.01412
|
|
55 15G-4 0.00592 0.00940 -0.00911 0.01327 -0.01521
|
|
56 2 N 1S 0.00472 -0.00625 -0.00180 0.01816 0.00992
|
|
57 2S -0.01402 0.01814 0.00665 -0.02819 -0.02461
|
|
58 3S -0.12788 -0.02595 0.08148 0.24814 0.08284
|
|
59 4S 0.58419 0.74045 -0.26722 -1.82848 -0.95993
|
|
60 5S -0.54896 0.38575 0.54033 -3.00356 -3.43118
|
|
61 6PX 0.00070 -0.03040 0.02779 0.00223 0.03598
|
|
62 6PY 0.03321 0.02533 0.02590 -0.00064 0.01239
|
|
63 6PZ -0.00081 0.02840 0.01234 0.05600 0.02504
|
|
64 7PX 0.06835 -0.08874 0.27598 0.09975 0.27427
|
|
65 7PY 0.20715 0.15587 0.13446 -0.04452 0.04435
|
|
66 7PZ -0.00783 0.06622 -0.01526 0.39850 0.21707
|
|
67 8PX -0.35313 1.06207 -1.02471 0.09467 -1.32810
|
|
68 8PY -0.77898 -0.80103 -0.47722 0.96817 0.47651
|
|
69 8PZ 0.31258 -0.96770 0.39143 -2.26300 -0.74619
|
|
70 9PX 0.14146 0.36496 0.37906 0.12487 -0.15639
|
|
71 9PY -0.27821 -0.76589 -0.32951 0.59477 -0.24650
|
|
72 9PZ 0.23517 0.15513 0.17418 -0.75772 -0.08356
|
|
73 10D 0 -0.00202 0.01007 -0.00311 0.00731 0.00032
|
|
74 10D+1 0.01338 0.01460 0.00036 -0.00756 0.00592
|
|
75 10D-1 0.00751 0.00135 -0.00034 -0.01798 0.00322
|
|
76 10D+2 -0.00597 -0.00666 0.01352 -0.00129 -0.00284
|
|
77 10D-2 0.00583 0.00479 -0.00332 0.00575 -0.00797
|
|
78 11D 0 0.03906 -0.15722 0.01315 -0.02795 -0.00142
|
|
79 11D+1 0.00238 -0.08652 -0.00818 0.05385 0.02648
|
|
80 11D-1 -0.08766 -0.06998 0.06391 0.12958 -0.02907
|
|
81 11D+2 0.01632 0.08220 -0.02800 0.04402 0.01640
|
|
82 11D-2 -0.07186 -0.04233 -0.06954 -0.00438 0.10636
|
|
83 12D 0 -0.08341 0.17602 -0.13654 -0.09338 -0.08864
|
|
84 12D+1 -0.16113 -0.29788 0.06724 0.29713 -0.04523
|
|
85 12D-1 0.79546 0.17796 -0.11668 0.67087 0.25311
|
|
86 12D+2 0.25729 -0.27440 -0.18974 -0.29021 -0.16294
|
|
87 12D-2 0.12524 -0.08712 -0.42955 -0.24495 0.62007
|
|
88 13F 0 0.00807 0.00190 -0.00461 -0.00429 -0.00423
|
|
89 13F+1 -0.00467 -0.00223 0.00501 -0.00745 0.00388
|
|
90 13F-1 -0.00675 0.00241 -0.00092 0.00258 0.00125
|
|
91 13F+2 0.00347 0.01117 0.00295 0.00158 -0.00151
|
|
92 13F-2 0.00945 -0.00647 -0.00138 0.00410 0.00031
|
|
93 13F+3 -0.00260 0.00402 0.01170 -0.00569 -0.00410
|
|
94 13F-3 -0.00122 -0.00619 0.01050 -0.00977 -0.00860
|
|
95 14F 0 -0.07701 -0.02136 -0.07670 0.11051 -0.03286
|
|
96 14F+1 -0.09982 0.11143 -0.16541 0.30411 0.00266
|
|
97 14F-1 0.05006 -0.07627 0.07812 0.12528 -0.00319
|
|
98 14F+2 0.00234 -0.32228 0.15779 -0.02577 0.02386
|
|
99 14F-2 0.01854 0.17794 0.07418 -0.13870 0.01551
|
|
100 14F+3 0.02057 0.01004 -0.27302 0.01688 0.09384
|
|
101 14F-3 -0.07246 0.00854 -0.18771 0.15200 0.19642
|
|
102 15G 0 -0.01331 -0.01973 -0.00744 -0.00913 -0.00994
|
|
103 15G+1 -0.01310 0.03063 -0.03785 0.02387 0.00308
|
|
104 15G-1 -0.00599 -0.01457 0.00007 0.01885 0.00929
|
|
105 15G+2 -0.00295 -0.01339 0.00995 0.02070 0.01361
|
|
106 15G-2 0.02061 -0.00545 0.01685 -0.03877 -0.00112
|
|
107 15G+3 0.02058 -0.00259 0.01854 -0.01552 -0.00122
|
|
108 15G-3 0.00117 0.02306 -0.01804 0.01179 -0.00798
|
|
109 15G+4 -0.01054 -0.00812 -0.02646 0.00675 -0.01412
|
|
110 15G-4 -0.00592 -0.00940 -0.00911 0.01327 0.01521
|
|
111 3 H 1S -0.01172 -0.00321 0.01033 -0.04091 0.00582
|
|
112 2S -0.29856 0.05148 -0.02886 0.41317 -0.13566
|
|
113 3S 0.59442 -0.28986 -0.34584 3.85084 -1.22769
|
|
114 4S -0.03780 0.02311 0.02634 0.26943 -0.21403
|
|
115 5PX -0.05101 0.00782 -0.01767 0.01396 -0.01667
|
|
116 5PY 0.01334 0.05524 0.03318 0.04681 0.03149
|
|
117 5PZ 0.02506 -0.03859 -0.01512 0.01375 -0.01686
|
|
118 6PX 0.32974 -0.08117 0.16946 -0.18695 0.10218
|
|
119 6PY -0.09915 -0.42271 -0.21008 -0.56176 -0.22386
|
|
120 6PZ -0.24551 0.25038 0.20191 -0.44714 0.17284
|
|
121 7PX 0.00847 0.01082 -0.34506 0.04833 0.34453
|
|
122 7PY -0.21675 0.88332 0.13047 -0.07926 0.48355
|
|
123 7PZ -0.17017 0.05919 -0.01681 -1.56012 0.27933
|
|
124 8D 0 0.00794 -0.01472 -0.01400 0.00563 -0.00144
|
|
125 8D+1 0.02243 -0.00658 0.00586 0.03588 0.02190
|
|
126 8D-1 0.01208 0.03969 0.00025 0.01769 -0.00759
|
|
127 8D+2 0.01881 0.05295 -0.00185 -0.05186 -0.02348
|
|
128 8D-2 0.01021 -0.01624 -0.05712 -0.00124 -0.01674
|
|
129 9D 0 0.14035 0.14890 0.02841 0.40732 0.00458
|
|
130 9D+1 -0.28936 0.12857 0.13969 -0.29586 -0.32123
|
|
131 9D-1 -0.01759 -0.57195 -0.08783 0.11283 0.02926
|
|
132 9D+2 -0.21709 -0.36591 0.07854 0.36003 0.14173
|
|
133 9D-2 -0.13544 0.14227 0.56331 -0.00671 0.06708
|
|
134 10F 0 -0.03001 -0.03510 0.00778 -0.03770 -0.02329
|
|
135 10F+1 0.00761 -0.01718 -0.03977 0.00893 0.00899
|
|
136 10F-1 -0.00745 0.04321 0.01336 -0.01204 -0.00096
|
|
137 10F+2 0.01436 -0.02888 -0.01995 0.00058 0.00742
|
|
138 10F-2 0.00969 0.00759 -0.03036 0.01971 0.02233
|
|
139 10F+3 0.00058 0.00073 0.00214 -0.00529 0.00792
|
|
140 10F-3 -0.00291 -0.00317 -0.00655 -0.00140 0.00507
|
|
141 4 H 1S -0.00536 -0.01795 -0.01011 -0.00680 0.01683
|
|
142 2S -0.06515 -0.10951 0.17494 0.31003 -0.45680
|
|
143 3S 0.47966 2.15788 -0.12146 0.49447 -1.67780
|
|
144 4S -0.03252 0.20611 -0.14638 0.19653 -0.08120
|
|
145 5PX -0.00633 -0.02419 -0.02648 0.00677 -0.01430
|
|
146 5PY 0.03067 -0.00777 -0.03278 0.01034 -0.03973
|
|
147 5PZ 0.03112 0.01262 0.00144 0.00466 0.02685
|
|
148 6PX 0.10947 0.31439 0.37916 0.07445 -0.03878
|
|
149 6PY -0.25413 -0.01438 0.21203 -0.09670 0.38880
|
|
150 6PZ -0.20013 -0.05013 0.04453 -0.02574 -0.21621
|
|
151 7PX 0.11322 1.07761 -0.27931 0.00620 -0.84848
|
|
152 7PY 0.17169 -0.17078 -0.84710 -0.02145 -0.42384
|
|
153 7PZ 0.12721 -0.17527 -0.39235 0.50249 -0.23004
|
|
154 8D 0 0.00799 -0.00265 -0.01355 0.03767 0.05524
|
|
155 8D+1 0.02100 0.01779 0.02813 -0.01180 -0.01423
|
|
156 8D-1 0.06813 -0.01917 -0.01284 0.00227 0.00083
|
|
157 8D+2 -0.00286 0.00174 0.01465 0.02491 0.03654
|
|
158 8D-2 -0.02866 -0.00527 -0.00534 -0.01386 -0.00982
|
|
159 9D 0 -0.08387 -0.23517 0.00950 -0.25834 -0.41484
|
|
160 9D+1 -0.11359 -0.32212 -0.36017 0.35279 -0.05002
|
|
161 9D-1 -0.55052 0.22042 0.07116 -0.10388 0.01577
|
|
162 9D+2 0.10748 0.28500 -0.17168 -0.17409 -0.49415
|
|
163 9D-2 0.27725 -0.09913 -0.30697 0.19345 0.08324
|
|
164 10F 0 -0.01646 0.00952 0.02479 -0.02083 0.00615
|
|
165 10F+1 -0.00303 -0.04280 -0.01007 0.02845 -0.01371
|
|
166 10F-1 -0.01035 0.00355 0.00760 -0.01076 0.00853
|
|
167 10F+2 0.00634 -0.02202 -0.03067 0.02932 -0.01995
|
|
168 10F-2 -0.00238 0.01825 -0.01052 -0.02343 -0.00446
|
|
169 10F+3 0.02093 0.02608 -0.04548 -0.00018 -0.02529
|
|
170 10F-3 0.01213 -0.02094 -0.04547 0.02788 -0.00972
|
|
171 5 H 1S 0.01172 0.00321 0.01033 -0.04091 -0.00582
|
|
172 2S 0.29856 -0.05148 -0.02886 0.41317 0.13566
|
|
173 3S -0.59442 0.28986 -0.34584 3.85084 1.22769
|
|
174 4S 0.03780 -0.02311 0.02634 0.26943 0.21403
|
|
175 5PX -0.05101 0.00782 0.01767 -0.01396 -0.01667
|
|
176 5PY 0.01334 0.05524 -0.03318 -0.04681 0.03149
|
|
177 5PZ -0.02506 0.03859 -0.01512 0.01375 0.01686
|
|
178 6PX 0.32974 -0.08117 -0.16946 0.18695 0.10218
|
|
179 6PY -0.09915 -0.42271 0.21008 0.56176 -0.22386
|
|
180 6PZ 0.24551 -0.25038 0.20191 -0.44714 -0.17284
|
|
181 7PX 0.00847 0.01082 0.34506 -0.04833 0.34453
|
|
182 7PY -0.21675 0.88332 -0.13047 0.07926 0.48355
|
|
183 7PZ 0.17017 -0.05919 -0.01681 -1.56012 -0.27933
|
|
184 8D 0 -0.00794 0.01472 -0.01400 0.00563 0.00144
|
|
185 8D+1 0.02243 -0.00658 -0.00586 -0.03588 0.02190
|
|
186 8D-1 0.01208 0.03969 -0.00025 -0.01769 -0.00759
|
|
187 8D+2 -0.01881 -0.05295 -0.00185 -0.05186 0.02348
|
|
188 8D-2 -0.01021 0.01624 -0.05712 -0.00124 0.01674
|
|
189 9D 0 -0.14035 -0.14890 0.02841 0.40732 -0.00458
|
|
190 9D+1 -0.28936 0.12857 -0.13969 0.29586 -0.32123
|
|
191 9D-1 -0.01759 -0.57195 0.08783 -0.11283 0.02926
|
|
192 9D+2 0.21709 0.36591 0.07854 0.36003 -0.14173
|
|
193 9D-2 0.13544 -0.14227 0.56331 -0.00671 -0.06708
|
|
194 10F 0 0.03001 0.03510 0.00778 -0.03770 0.02329
|
|
195 10F+1 0.00761 -0.01718 0.03977 -0.00893 0.00899
|
|
196 10F-1 -0.00745 0.04321 -0.01336 0.01204 -0.00096
|
|
197 10F+2 -0.01436 0.02888 -0.01995 0.00058 -0.00742
|
|
198 10F-2 -0.00969 -0.00759 -0.03036 0.01971 -0.02233
|
|
199 10F+3 0.00058 0.00073 -0.00214 0.00529 0.00792
|
|
200 10F-3 -0.00291 -0.00317 0.00655 0.00140 0.00507
|
|
201 6 H 1S 0.00536 0.01795 -0.01011 -0.00680 -0.01683
|
|
202 2S 0.06515 0.10951 0.17494 0.31003 0.45680
|
|
203 3S -0.47966 -2.15788 -0.12146 0.49447 1.67780
|
|
204 4S 0.03252 -0.20611 -0.14638 0.19653 0.08120
|
|
205 5PX -0.00633 -0.02419 0.02648 -0.00677 -0.01430
|
|
206 5PY 0.03067 -0.00777 0.03278 -0.01034 -0.03973
|
|
207 5PZ -0.03112 -0.01262 0.00144 0.00466 -0.02685
|
|
208 6PX 0.10947 0.31439 -0.37916 -0.07445 -0.03878
|
|
209 6PY -0.25413 -0.01438 -0.21203 0.09670 0.38880
|
|
210 6PZ 0.20013 0.05013 0.04453 -0.02574 0.21621
|
|
211 7PX 0.11322 1.07761 0.27931 -0.00620 -0.84848
|
|
212 7PY 0.17169 -0.17078 0.84710 0.02145 -0.42384
|
|
213 7PZ -0.12721 0.17527 -0.39235 0.50249 0.23004
|
|
214 8D 0 -0.00799 0.00265 -0.01355 0.03767 -0.05524
|
|
215 8D+1 0.02100 0.01779 -0.02813 0.01180 -0.01423
|
|
216 8D-1 0.06813 -0.01917 0.01284 -0.00227 0.00083
|
|
217 8D+2 0.00286 -0.00174 0.01465 0.02491 -0.03654
|
|
218 8D-2 0.02866 0.00527 -0.00534 -0.01386 0.00982
|
|
219 9D 0 0.08387 0.23517 0.00950 -0.25834 0.41484
|
|
220 9D+1 -0.11359 -0.32212 0.36017 -0.35279 -0.05002
|
|
221 9D-1 -0.55052 0.22042 -0.07116 0.10388 0.01577
|
|
222 9D+2 -0.10748 -0.28500 -0.17168 -0.17409 0.49415
|
|
223 9D-2 -0.27725 0.09913 -0.30697 0.19345 -0.08324
|
|
224 10F 0 0.01646 -0.00952 0.02479 -0.02083 -0.00615
|
|
225 10F+1 -0.00303 -0.04280 0.01007 -0.02845 -0.01371
|
|
226 10F-1 -0.01035 0.00355 -0.00760 0.01076 0.00853
|
|
227 10F+2 -0.00634 0.02202 -0.03067 0.02932 0.01995
|
|
228 10F-2 0.00238 -0.01825 -0.01052 -0.02343 0.00446
|
|
229 10F+3 0.02093 0.02608 0.04548 0.00018 -0.02529
|
|
230 10F-3 0.01213 -0.02094 0.04547 -0.02788 -0.00972
|
|
61 62 63 64 65
|
|
V V V V V
|
|
Eigenvalues -- 2.41576 2.44029 2.45255 2.46935 2.49034
|
|
1 1 N 1S -0.01914 -0.01899 -0.00644 -0.01060 0.00256
|
|
2 2S 0.02128 0.01766 0.02479 0.00498 -0.01576
|
|
3 3S -0.37764 -0.48153 0.14584 -0.05339 -0.15604
|
|
4 4S 1.94153 2.49205 0.16796 -0.70208 0.35257
|
|
5 5S 3.85382 5.44456 -0.85122 4.18106 2.64646
|
|
6 6PX 0.03384 0.05239 -0.01552 0.01178 -0.00501
|
|
7 6PY 0.01579 0.00311 -0.03923 0.01800 -0.00064
|
|
8 6PZ -0.05057 -0.04407 0.02395 0.01551 -0.02408
|
|
9 7PX 0.19703 0.37283 0.00646 0.07960 0.33258
|
|
10 7PY -0.01551 0.06445 -0.13719 0.03871 -0.15368
|
|
11 7PZ -0.44404 -0.22405 0.37332 -0.15338 0.13405
|
|
12 8PX -0.90857 -1.52173 -0.10310 -0.61794 -1.67090
|
|
13 8PY 1.04734 0.46219 0.33355 -0.32130 1.25125
|
|
14 8PZ 1.87675 0.89736 -1.33905 0.56327 -0.04006
|
|
15 9PX -1.02754 -0.00753 -0.28469 -0.30062 -1.00886
|
|
16 9PY 0.30205 -0.32934 0.47459 -0.68726 0.39169
|
|
17 9PZ 0.39724 1.02055 -0.69470 1.35534 0.32874
|
|
18 10D 0 -0.02972 0.01142 0.02778 0.00962 0.01379
|
|
19 10D+1 -0.01550 -0.01909 -0.00454 0.02413 0.01750
|
|
20 10D-1 -0.01388 0.00415 -0.00485 -0.01286 0.01097
|
|
21 10D+2 -0.00621 -0.01050 0.00830 -0.00634 -0.00779
|
|
22 10D-2 0.00231 0.01578 -0.00146 -0.00148 0.02105
|
|
23 11D 0 0.12410 -0.04286 -0.05034 -0.14680 0.09643
|
|
24 11D+1 0.06587 0.10874 0.08738 -0.24019 -0.13324
|
|
25 11D-1 -0.04464 -0.02169 0.10570 0.05220 0.06576
|
|
26 11D+2 0.01139 0.05897 -0.06824 0.06025 -0.08868
|
|
27 11D-2 -0.04332 -0.02098 0.07010 -0.00188 0.06084
|
|
28 12D 0 0.32120 -0.30238 -0.51113 0.30137 -0.65592
|
|
29 12D+1 0.39560 0.42283 -0.12914 -0.22775 -0.28488
|
|
30 12D-1 0.56994 -0.04730 -0.20524 0.39225 -0.21486
|
|
31 12D+2 0.04821 0.01982 0.27264 -0.18515 0.73637
|
|
32 12D-2 0.18097 -0.61743 -0.91428 -0.09381 -1.05597
|
|
33 13F 0 -0.01150 0.00082 0.00218 0.00091 0.00736
|
|
34 13F+1 0.00161 -0.00482 0.00218 -0.00946 0.00470
|
|
35 13F-1 -0.00388 0.00189 -0.00547 -0.01361 0.01480
|
|
36 13F+2 0.00574 -0.00698 0.00825 -0.00054 0.00784
|
|
37 13F-2 -0.00383 -0.00580 -0.00386 0.00087 0.00938
|
|
38 13F+3 0.00130 0.00105 0.00520 -0.00015 0.00453
|
|
39 13F-3 -0.00311 -0.00743 -0.01252 0.00130 -0.01532
|
|
40 14F 0 0.30487 0.08833 -0.13482 -0.11604 -0.02156
|
|
41 14F+1 0.02415 0.36922 -0.14959 0.17203 -0.11320
|
|
42 14F-1 0.26131 -0.03889 0.08279 0.11834 -0.15234
|
|
43 14F+2 -0.29427 0.13342 -0.18726 0.10122 -0.17424
|
|
44 14F-2 0.11921 0.21619 0.09834 -0.15690 -0.13374
|
|
45 14F+3 -0.10247 0.02675 -0.04282 -0.09481 0.09766
|
|
46 14F-3 0.02958 0.41059 0.10287 -0.00676 0.26470
|
|
47 15G 0 0.01314 0.02886 -0.03519 0.01862 0.00879
|
|
48 15G+1 0.00250 0.00186 -0.02458 0.01971 -0.03919
|
|
49 15G-1 0.04171 0.00872 -0.01560 0.01075 0.00339
|
|
50 15G+2 -0.03219 0.00218 -0.00715 -0.01676 -0.02182
|
|
51 15G-2 0.01291 0.03923 -0.00335 0.00616 -0.00363
|
|
52 15G+3 -0.00110 -0.00697 0.00622 -0.00172 0.01035
|
|
53 15G-3 -0.02211 -0.00954 -0.01469 0.01241 -0.01594
|
|
54 15G+4 0.01673 -0.00234 -0.00333 0.01680 -0.01044
|
|
55 15G-4 -0.00872 -0.03187 -0.00533 -0.00832 -0.03946
|
|
56 2 N 1S -0.01914 0.01899 -0.00644 0.01060 -0.00256
|
|
57 2S 0.02128 -0.01766 0.02479 -0.00498 0.01576
|
|
58 3S -0.37764 0.48153 0.14584 0.05339 0.15604
|
|
59 4S 1.94153 -2.49205 0.16796 0.70208 -0.35257
|
|
60 5S 3.85382 -5.44456 -0.85122 -4.18106 -2.64646
|
|
61 6PX -0.03384 0.05239 0.01552 0.01178 -0.00501
|
|
62 6PY -0.01579 0.00311 0.03923 0.01800 -0.00064
|
|
63 6PZ -0.05057 0.04407 0.02395 -0.01551 0.02408
|
|
64 7PX -0.19703 0.37283 -0.00646 0.07960 0.33258
|
|
65 7PY 0.01551 0.06445 0.13719 0.03871 -0.15368
|
|
66 7PZ -0.44404 0.22405 0.37332 0.15338 -0.13405
|
|
67 8PX 0.90857 -1.52173 0.10310 -0.61794 -1.67090
|
|
68 8PY -1.04734 0.46219 -0.33355 -0.32130 1.25125
|
|
69 8PZ 1.87675 -0.89736 -1.33905 -0.56327 0.04006
|
|
70 9PX 1.02754 -0.00753 0.28469 -0.30062 -1.00886
|
|
71 9PY -0.30205 -0.32934 -0.47459 -0.68726 0.39169
|
|
72 9PZ 0.39724 -1.02055 -0.69470 -1.35534 -0.32874
|
|
73 10D 0 -0.02972 -0.01142 0.02778 -0.00962 -0.01379
|
|
74 10D+1 0.01550 -0.01909 0.00454 0.02413 0.01750
|
|
75 10D-1 0.01388 0.00415 0.00485 -0.01286 0.01097
|
|
76 10D+2 -0.00621 0.01050 0.00830 0.00634 0.00779
|
|
77 10D-2 0.00231 -0.01578 -0.00146 0.00148 -0.02105
|
|
78 11D 0 0.12410 0.04286 -0.05034 0.14680 -0.09643
|
|
79 11D+1 -0.06587 0.10874 -0.08738 -0.24019 -0.13324
|
|
80 11D-1 0.04464 -0.02169 -0.10570 0.05220 0.06576
|
|
81 11D+2 0.01139 -0.05897 -0.06824 -0.06025 0.08868
|
|
82 11D-2 -0.04332 0.02098 0.07010 0.00188 -0.06084
|
|
83 12D 0 0.32120 0.30238 -0.51113 -0.30137 0.65592
|
|
84 12D+1 -0.39560 0.42283 0.12914 -0.22775 -0.28488
|
|
85 12D-1 -0.56994 -0.04730 0.20524 0.39225 -0.21486
|
|
86 12D+2 0.04821 -0.01982 0.27264 0.18515 -0.73637
|
|
87 12D-2 0.18097 0.61743 -0.91428 0.09381 1.05597
|
|
88 13F 0 -0.01150 -0.00082 0.00218 -0.00091 -0.00736
|
|
89 13F+1 -0.00161 -0.00482 -0.00218 -0.00946 0.00470
|
|
90 13F-1 0.00388 0.00189 0.00547 -0.01361 0.01480
|
|
91 13F+2 0.00574 0.00698 0.00825 0.00054 -0.00784
|
|
92 13F-2 -0.00383 0.00580 -0.00386 -0.00087 -0.00938
|
|
93 13F+3 -0.00130 0.00105 -0.00520 -0.00015 0.00453
|
|
94 13F-3 0.00311 -0.00743 0.01252 0.00130 -0.01532
|
|
95 14F 0 0.30487 -0.08833 -0.13482 0.11604 0.02156
|
|
96 14F+1 -0.02415 0.36922 0.14959 0.17203 -0.11320
|
|
97 14F-1 -0.26131 -0.03889 -0.08279 0.11834 -0.15234
|
|
98 14F+2 -0.29427 -0.13342 -0.18726 -0.10122 0.17424
|
|
99 14F-2 0.11921 -0.21619 0.09834 0.15690 0.13374
|
|
100 14F+3 0.10247 0.02675 0.04282 -0.09481 0.09766
|
|
101 14F-3 -0.02958 0.41059 -0.10287 -0.00676 0.26470
|
|
102 15G 0 0.01314 -0.02886 -0.03519 -0.01862 -0.00879
|
|
103 15G+1 -0.00250 0.00186 0.02458 0.01971 -0.03919
|
|
104 15G-1 -0.04171 0.00872 0.01560 0.01075 0.00339
|
|
105 15G+2 -0.03219 -0.00218 -0.00715 0.01676 0.02182
|
|
106 15G-2 0.01291 -0.03923 -0.00335 -0.00616 0.00363
|
|
107 15G+3 0.00110 -0.00697 -0.00622 -0.00172 0.01035
|
|
108 15G-3 0.02211 -0.00954 0.01469 0.01241 -0.01594
|
|
109 15G+4 0.01673 0.00234 -0.00333 -0.01680 0.01044
|
|
110 15G-4 -0.00872 0.03187 -0.00533 0.00832 0.03946
|
|
111 3 H 1S 0.03847 0.01803 -0.01357 0.01107 -0.00798
|
|
112 2S -0.63875 -0.10870 0.22472 -0.15310 0.62309
|
|
113 3S -3.40907 -2.45133 1.70980 -1.13502 -1.03221
|
|
114 4S -0.05817 -0.40971 -0.10254 -0.03733 -0.33586
|
|
115 5PX 0.03698 -0.04533 0.01285 -0.00200 0.04737
|
|
116 5PY -0.00030 0.01021 -0.03489 -0.01066 -0.00511
|
|
117 5PZ -0.04909 -0.00357 0.04104 0.00597 -0.00302
|
|
118 6PX -0.16001 0.38018 -0.16962 0.02335 -0.53613
|
|
119 6PY 0.24309 0.00070 0.19975 0.15503 -0.05139
|
|
120 6PZ 0.91689 0.19581 -0.58055 0.13970 -0.30123
|
|
121 7PX 0.89095 -0.40438 0.22902 0.19381 1.24973
|
|
122 7PY 0.25358 0.60885 -0.85869 -0.23838 0.07835
|
|
123 7PZ 0.78546 0.75925 0.20266 -0.35319 0.62427
|
|
124 8D 0 -0.03581 0.00393 0.04162 -0.02855 0.01804
|
|
125 8D+1 -0.00885 -0.03194 0.02040 0.01381 0.03332
|
|
126 8D-1 -0.04378 -0.00539 0.02880 -0.02890 0.02170
|
|
127 8D+2 -0.00776 0.00345 0.01482 -0.00066 0.01799
|
|
128 8D-2 -0.02656 0.02232 -0.03406 -0.00597 0.02203
|
|
129 9D 0 -0.04285 -0.19855 -0.42973 0.33046 -0.10084
|
|
130 9D+1 -0.27374 0.37978 -0.15468 -0.14174 -0.50168
|
|
131 9D-1 0.13093 -0.23210 0.05657 0.29911 -0.09862
|
|
132 9D+2 0.06204 0.07591 -0.22390 -0.04349 -0.25473
|
|
133 9D-2 0.07902 -0.18798 0.35084 0.07530 -0.24534
|
|
134 10F 0 -0.01129 0.00020 0.05597 -0.02345 -0.00484
|
|
135 10F+1 0.03307 -0.02831 0.02140 -0.00805 0.05902
|
|
136 10F-1 -0.01513 0.02843 -0.01241 -0.02727 0.00202
|
|
137 10F+2 0.02055 -0.02768 0.03183 0.01653 0.03466
|
|
138 10F-2 0.02832 -0.00747 -0.00430 -0.00914 0.02883
|
|
139 10F+3 -0.00703 -0.00565 0.01737 0.00962 0.00110
|
|
140 10F-3 0.01110 -0.01395 0.00935 0.00008 0.00549
|
|
141 4 H 1S 0.01906 0.03364 0.00966 0.00163 0.03063
|
|
142 2S -0.21231 -0.72318 -0.44931 0.19914 -0.78152
|
|
143 3S -2.23178 -2.74934 -0.34658 -1.08533 -2.23057
|
|
144 4S -0.38020 0.02731 0.01260 -0.05888 -0.01178
|
|
145 5PX -0.00470 0.02742 -0.00421 0.03072 0.03042
|
|
146 5PY -0.00714 -0.01760 0.02487 0.02569 0.00520
|
|
147 5PZ 0.03989 -0.03061 0.04757 -0.06866 0.01520
|
|
148 6PX -0.19385 -0.69616 -0.10575 -0.26394 -0.72014
|
|
149 6PY 0.14723 0.32030 -0.13276 -0.17999 0.14524
|
|
150 6PZ -0.33021 0.11845 -0.43306 0.58963 -0.23550
|
|
151 7PX -0.65433 -1.00519 -0.18713 0.08403 0.00714
|
|
152 7PY 0.38860 -0.49752 -0.27143 0.32081 -0.50256
|
|
153 7PZ 0.23441 -0.74736 0.60818 -1.19575 -0.16521
|
|
154 8D 0 -0.00191 -0.00473 0.01226 0.04208 0.02734
|
|
155 8D+1 -0.02302 -0.01155 -0.00098 0.02159 0.00067
|
|
156 8D-1 -0.02918 0.02477 -0.01558 0.00345 0.01435
|
|
157 8D+2 -0.00488 -0.02012 -0.00280 -0.00853 -0.03365
|
|
158 8D-2 0.01403 0.04444 0.00426 -0.00571 0.04419
|
|
159 9D 0 0.16394 0.21498 -0.06443 -0.45171 -0.21365
|
|
160 9D+1 0.23581 -0.22219 0.12343 -0.45780 -0.14950
|
|
161 9D-1 0.25279 -0.13403 0.06320 0.05740 -0.18450
|
|
162 9D+2 -0.10370 -0.29403 -0.07396 0.15080 0.02719
|
|
163 9D-2 0.08920 -0.37806 -0.07162 0.12401 -0.49697
|
|
164 10F 0 -0.00665 0.01671 -0.02478 0.03557 -0.01369
|
|
165 10F+1 0.01294 -0.01130 0.01318 -0.04566 -0.02487
|
|
166 10F-1 -0.01571 0.02057 0.00555 0.00474 0.02161
|
|
167 10F+2 0.01400 -0.03574 0.03196 -0.03625 0.00048
|
|
168 10F-2 -0.00516 0.01164 -0.02574 0.03238 -0.02731
|
|
169 10F+3 0.00466 -0.04160 -0.00601 0.02708 -0.01602
|
|
170 10F-3 0.00920 -0.02248 -0.00006 0.00436 -0.03911
|
|
171 5 H 1S 0.03847 -0.01803 -0.01357 -0.01107 0.00798
|
|
172 2S -0.63875 0.10870 0.22472 0.15310 -0.62309
|
|
173 3S -3.40907 2.45133 1.70980 1.13502 1.03221
|
|
174 4S -0.05817 0.40971 -0.10254 0.03733 0.33586
|
|
175 5PX -0.03698 -0.04533 -0.01285 -0.00200 0.04737
|
|
176 5PY 0.00030 0.01021 0.03489 -0.01066 -0.00511
|
|
177 5PZ -0.04909 0.00357 0.04104 -0.00597 0.00302
|
|
178 6PX 0.16001 0.38018 0.16962 0.02335 -0.53613
|
|
179 6PY -0.24309 0.00070 -0.19975 0.15503 -0.05139
|
|
180 6PZ 0.91689 -0.19581 -0.58055 -0.13970 0.30123
|
|
181 7PX -0.89095 -0.40438 -0.22902 0.19381 1.24973
|
|
182 7PY -0.25358 0.60885 0.85869 -0.23838 0.07835
|
|
183 7PZ 0.78546 -0.75925 0.20266 0.35319 -0.62427
|
|
184 8D 0 -0.03581 -0.00393 0.04162 0.02855 -0.01804
|
|
185 8D+1 0.00885 -0.03194 -0.02040 0.01381 0.03332
|
|
186 8D-1 0.04378 -0.00539 -0.02880 -0.02890 0.02170
|
|
187 8D+2 -0.00776 -0.00345 0.01482 0.00066 -0.01799
|
|
188 8D-2 -0.02656 -0.02232 -0.03406 0.00597 -0.02203
|
|
189 9D 0 -0.04285 0.19855 -0.42973 -0.33046 0.10084
|
|
190 9D+1 0.27374 0.37978 0.15468 -0.14174 -0.50168
|
|
191 9D-1 -0.13093 -0.23210 -0.05657 0.29911 -0.09862
|
|
192 9D+2 0.06204 -0.07591 -0.22390 0.04349 0.25473
|
|
193 9D-2 0.07902 0.18798 0.35084 -0.07530 0.24534
|
|
194 10F 0 -0.01129 -0.00020 0.05597 0.02345 0.00484
|
|
195 10F+1 -0.03307 -0.02831 -0.02140 -0.00805 0.05902
|
|
196 10F-1 0.01513 0.02843 0.01241 -0.02727 0.00202
|
|
197 10F+2 0.02055 0.02768 0.03183 -0.01653 -0.03466
|
|
198 10F-2 0.02832 0.00747 -0.00430 0.00914 -0.02883
|
|
199 10F+3 0.00703 -0.00565 -0.01737 0.00962 0.00110
|
|
200 10F-3 -0.01110 -0.01395 -0.00935 0.00008 0.00549
|
|
201 6 H 1S 0.01906 -0.03364 0.00966 -0.00163 -0.03063
|
|
202 2S -0.21231 0.72318 -0.44931 -0.19914 0.78152
|
|
203 3S -2.23178 2.74934 -0.34658 1.08533 2.23057
|
|
204 4S -0.38020 -0.02731 0.01260 0.05888 0.01178
|
|
205 5PX 0.00470 0.02742 0.00421 0.03072 0.03042
|
|
206 5PY 0.00714 -0.01760 -0.02487 0.02569 0.00520
|
|
207 5PZ 0.03989 0.03061 0.04757 0.06866 -0.01520
|
|
208 6PX 0.19385 -0.69616 0.10575 -0.26394 -0.72014
|
|
209 6PY -0.14723 0.32030 0.13276 -0.17999 0.14524
|
|
210 6PZ -0.33021 -0.11845 -0.43306 -0.58963 0.23550
|
|
211 7PX 0.65433 -1.00519 0.18713 0.08403 0.00714
|
|
212 7PY -0.38860 -0.49752 0.27143 0.32081 -0.50256
|
|
213 7PZ 0.23441 0.74736 0.60818 1.19575 0.16521
|
|
214 8D 0 -0.00191 0.00473 0.01226 -0.04208 -0.02734
|
|
215 8D+1 0.02302 -0.01155 0.00098 0.02159 0.00067
|
|
216 8D-1 0.02918 0.02477 0.01558 0.00345 0.01435
|
|
217 8D+2 -0.00488 0.02012 -0.00280 0.00853 0.03365
|
|
218 8D-2 0.01403 -0.04444 0.00426 0.00571 -0.04419
|
|
219 9D 0 0.16394 -0.21498 -0.06443 0.45171 0.21365
|
|
220 9D+1 -0.23581 -0.22219 -0.12343 -0.45780 -0.14950
|
|
221 9D-1 -0.25279 -0.13403 -0.06320 0.05740 -0.18450
|
|
222 9D+2 -0.10370 0.29403 -0.07396 -0.15080 -0.02719
|
|
223 9D-2 0.08920 0.37806 -0.07162 -0.12401 0.49697
|
|
224 10F 0 -0.00665 -0.01671 -0.02478 -0.03557 0.01369
|
|
225 10F+1 -0.01294 -0.01130 -0.01318 -0.04566 -0.02487
|
|
226 10F-1 0.01571 0.02057 -0.00555 0.00474 0.02161
|
|
227 10F+2 0.01400 0.03574 0.03196 0.03625 -0.00048
|
|
228 10F-2 -0.00516 -0.01164 -0.02574 -0.03238 0.02731
|
|
229 10F+3 -0.00466 -0.04160 0.00601 0.02708 -0.01602
|
|
230 10F-3 -0.00920 -0.02248 0.00006 0.00436 -0.03911
|
|
66 67 68 69 70
|
|
V V V V V
|
|
Eigenvalues -- 2.51592 2.53837 2.57371 2.57962 2.58645
|
|
1 1 N 1S -0.01705 0.00267 0.00188 -0.00949 -0.01228
|
|
2 2S 0.01310 0.00154 0.01778 -0.00101 0.03370
|
|
3 3S -0.33905 0.25995 0.18123 -0.50068 0.17122
|
|
4 4S 1.46204 -1.47610 0.65418 2.65224 -0.50928
|
|
5 5S 5.12952 -2.04288 2.15157 9.50399 1.51115
|
|
6 6PX 0.01753 0.00871 0.05293 0.07789 -0.04636
|
|
7 6PY 0.01557 -0.01225 -0.05949 0.01829 -0.02377
|
|
8 6PZ -0.05800 0.06404 -0.01936 -0.01716 -0.04608
|
|
9 7PX 0.35420 -0.06693 0.08466 0.20427 0.08971
|
|
10 7PY 0.36909 -0.05014 -0.07314 0.28306 -0.12054
|
|
11 7PZ -0.13592 0.24454 -0.13337 -0.28479 -0.08530
|
|
12 8PX -0.76039 -0.18787 -0.76684 -1.74983 -0.18474
|
|
13 8PY -1.68988 -0.61009 1.12845 -0.76794 0.40827
|
|
14 8PZ 0.65493 -1.57998 0.95473 0.67941 0.90468
|
|
15 9PX -0.53062 -0.30270 -0.14794 -1.46091 -0.85999
|
|
16 9PY -1.82005 -0.16790 -0.10640 -1.84958 -0.26174
|
|
17 9PZ -0.31417 -0.73954 0.46573 0.49457 0.27084
|
|
18 10D 0 0.01183 -0.00839 -0.00618 -0.01378 0.00811
|
|
19 10D+1 -0.01826 0.01130 0.03231 -0.00453 0.02270
|
|
20 10D-1 -0.00081 0.01533 -0.01689 -0.01077 -0.00008
|
|
21 10D+2 -0.01593 0.01469 0.01236 0.01678 -0.01236
|
|
22 10D-2 -0.01834 0.00531 -0.00274 0.01097 0.01880
|
|
23 11D 0 0.10846 -0.06276 0.08228 -0.05891 0.21463
|
|
24 11D+1 0.09551 -0.09755 -0.01648 0.03961 -0.13910
|
|
25 11D-1 0.08796 -0.11729 0.06624 -0.00214 0.14028
|
|
26 11D+2 0.04233 0.01359 0.27082 0.10756 -0.02717
|
|
27 11D-2 0.16971 -0.11691 -0.04616 -0.19921 -0.01088
|
|
28 12D 0 -0.66269 0.02044 -0.11652 0.21982 -0.70666
|
|
29 12D+1 0.53343 -0.17166 -0.98514 0.26556 -0.33484
|
|
30 12D-1 -0.56903 -0.38508 0.47147 0.35926 -0.16864
|
|
31 12D+2 0.12246 -0.09399 -1.05909 -0.65844 0.27505
|
|
32 12D-2 0.16812 -0.22354 -0.25661 0.08353 -0.30488
|
|
33 13F 0 0.00518 -0.00961 0.01780 -0.01199 -0.00054
|
|
34 13F+1 -0.00414 0.00384 0.02202 0.01211 -0.00221
|
|
35 13F-1 0.00340 -0.01890 -0.02173 -0.01478 0.02103
|
|
36 13F+2 0.00259 0.00460 -0.00937 -0.00273 0.00117
|
|
37 13F-2 -0.00391 0.00199 0.00609 0.01141 0.00203
|
|
38 13F+3 0.00800 -0.01589 -0.01409 -0.00731 0.00504
|
|
39 13F-3 0.00099 0.00828 -0.00075 0.00028 -0.03552
|
|
40 14F 0 0.08613 0.18049 -0.23836 0.39743 0.01147
|
|
41 14F+1 0.17184 -0.26192 -0.26991 -0.14445 0.05336
|
|
42 14F-1 0.07962 0.06728 0.24678 0.32713 -0.26998
|
|
43 14F+2 -0.10716 -0.03111 0.05883 -0.12613 0.12595
|
|
44 14F-2 0.06357 -0.10785 -0.16052 -0.10896 -0.13752
|
|
45 14F+3 -0.30305 0.31468 0.16544 -0.04527 -0.04373
|
|
46 14F-3 -0.03707 -0.10387 -0.08299 0.10432 0.34977
|
|
47 15G 0 0.01445 0.01052 -0.00289 0.02991 0.02466
|
|
48 15G+1 -0.00716 -0.01494 -0.00070 -0.01114 -0.00455
|
|
49 15G-1 -0.00378 0.00958 0.00401 0.03039 -0.01573
|
|
50 15G+2 0.00454 0.02778 -0.02048 0.00879 -0.01125
|
|
51 15G-2 0.00191 -0.02930 -0.01577 -0.00998 0.00901
|
|
52 15G+3 0.01812 0.01019 -0.02166 0.00712 -0.00328
|
|
53 15G-3 0.00396 -0.00302 -0.00304 -0.01396 0.01010
|
|
54 15G+4 0.05547 -0.02673 -0.01057 0.01895 0.00537
|
|
55 15G-4 -0.00819 0.00345 0.00420 0.00908 -0.02410
|
|
56 2 N 1S 0.01705 0.00267 0.00188 0.00949 -0.01228
|
|
57 2S -0.01310 0.00154 0.01778 0.00101 0.03370
|
|
58 3S 0.33905 0.25995 0.18123 0.50068 0.17122
|
|
59 4S -1.46204 -1.47610 0.65418 -2.65224 -0.50928
|
|
60 5S -5.12952 -2.04288 2.15157 -9.50399 1.51115
|
|
61 6PX 0.01753 -0.00871 -0.05293 0.07789 0.04636
|
|
62 6PY 0.01557 0.01225 0.05949 0.01829 0.02377
|
|
63 6PZ 0.05800 0.06404 -0.01936 0.01716 -0.04608
|
|
64 7PX 0.35420 0.06693 -0.08466 0.20427 -0.08971
|
|
65 7PY 0.36909 0.05014 0.07314 0.28306 0.12054
|
|
66 7PZ 0.13592 0.24454 -0.13337 0.28479 -0.08530
|
|
67 8PX -0.76039 0.18787 0.76684 -1.74983 0.18474
|
|
68 8PY -1.68988 0.61009 -1.12845 -0.76794 -0.40827
|
|
69 8PZ -0.65493 -1.57998 0.95473 -0.67941 0.90468
|
|
70 9PX -0.53062 0.30270 0.14794 -1.46091 0.85999
|
|
71 9PY -1.82005 0.16790 0.10640 -1.84958 0.26174
|
|
72 9PZ 0.31417 -0.73954 0.46573 -0.49457 0.27084
|
|
73 10D 0 -0.01183 -0.00839 -0.00618 0.01378 0.00811
|
|
74 10D+1 -0.01826 -0.01130 -0.03231 -0.00453 -0.02270
|
|
75 10D-1 -0.00081 -0.01533 0.01689 -0.01077 0.00008
|
|
76 10D+2 0.01593 0.01469 0.01236 -0.01678 -0.01236
|
|
77 10D-2 0.01834 0.00531 -0.00274 -0.01097 0.01880
|
|
78 11D 0 -0.10846 -0.06276 0.08228 0.05891 0.21463
|
|
79 11D+1 0.09551 0.09755 0.01648 0.03961 0.13910
|
|
80 11D-1 0.08796 0.11729 -0.06624 -0.00214 -0.14028
|
|
81 11D+2 -0.04233 0.01359 0.27082 -0.10756 -0.02717
|
|
82 11D-2 -0.16971 -0.11691 -0.04616 0.19921 -0.01088
|
|
83 12D 0 0.66269 0.02044 -0.11652 -0.21982 -0.70666
|
|
84 12D+1 0.53343 0.17166 0.98514 0.26556 0.33484
|
|
85 12D-1 -0.56903 0.38508 -0.47147 0.35926 0.16864
|
|
86 12D+2 -0.12246 -0.09399 -1.05909 0.65844 0.27505
|
|
87 12D-2 -0.16812 -0.22354 -0.25661 -0.08353 -0.30488
|
|
88 13F 0 -0.00518 -0.00961 0.01780 0.01199 -0.00054
|
|
89 13F+1 -0.00414 -0.00384 -0.02202 0.01211 0.00221
|
|
90 13F-1 0.00340 0.01890 0.02173 -0.01478 -0.02103
|
|
91 13F+2 -0.00259 0.00460 -0.00937 0.00273 0.00117
|
|
92 13F-2 0.00391 0.00199 0.00609 -0.01141 0.00203
|
|
93 13F+3 0.00800 0.01589 0.01409 -0.00731 -0.00504
|
|
94 13F-3 0.00099 -0.00828 0.00075 0.00028 0.03552
|
|
95 14F 0 -0.08613 0.18049 -0.23836 -0.39743 0.01147
|
|
96 14F+1 0.17184 0.26192 0.26991 -0.14445 -0.05336
|
|
97 14F-1 0.07962 -0.06728 -0.24678 0.32713 0.26998
|
|
98 14F+2 0.10716 -0.03111 0.05883 0.12613 0.12595
|
|
99 14F-2 -0.06357 -0.10785 -0.16052 0.10896 -0.13752
|
|
100 14F+3 -0.30305 -0.31468 -0.16544 -0.04527 0.04373
|
|
101 14F-3 -0.03707 0.10387 0.08299 0.10432 -0.34977
|
|
102 15G 0 -0.01445 0.01052 -0.00289 -0.02991 0.02466
|
|
103 15G+1 -0.00716 0.01494 0.00070 -0.01114 0.00455
|
|
104 15G-1 -0.00378 -0.00958 -0.00401 0.03039 0.01573
|
|
105 15G+2 -0.00454 0.02778 -0.02048 -0.00879 -0.01125
|
|
106 15G-2 -0.00191 -0.02930 -0.01577 0.00998 0.00901
|
|
107 15G+3 0.01812 -0.01019 0.02166 0.00712 0.00328
|
|
108 15G-3 0.00396 0.00302 0.00304 -0.01396 -0.01010
|
|
109 15G+4 -0.05547 -0.02673 -0.01057 -0.01895 0.00537
|
|
110 15G-4 0.00819 0.00345 0.00420 -0.00908 -0.02410
|
|
111 3 H 1S 0.00370 -0.02270 0.01052 0.02141 0.00280
|
|
112 2S 0.08710 0.10837 0.07675 -0.40992 0.52209
|
|
113 3S -0.98197 3.19095 -1.56001 -2.28347 -1.32980
|
|
114 4S -0.10501 0.37385 -0.13259 0.24870 -0.33890
|
|
115 5PX 0.02300 0.04223 -0.02441 0.03959 0.04794
|
|
116 5PY 0.00273 0.00884 0.02299 -0.00067 0.02914
|
|
117 5PZ -0.00547 0.00976 -0.01036 -0.03458 -0.00211
|
|
118 6PX -0.19115 -0.33431 0.18277 -0.21026 -0.53050
|
|
119 6PY -0.07162 -0.13353 -0.22945 0.14370 -0.32169
|
|
120 6PZ 0.04601 -0.12456 0.02972 0.63783 -0.23067
|
|
121 7PX 0.14870 0.23389 0.78852 0.98582 0.85178
|
|
122 7PY 0.75080 -0.33307 -0.02805 0.22591 0.69441
|
|
123 7PZ 0.66590 -1.65124 0.63033 -0.08937 0.91324
|
|
124 8D 0 0.02415 -0.03300 0.01190 -0.01633 0.01634
|
|
125 8D+1 -0.01437 -0.01195 0.03130 -0.02270 0.03132
|
|
126 8D-1 0.00836 0.03457 -0.01349 -0.03058 0.01260
|
|
127 8D+2 -0.01800 0.02964 -0.01599 0.01296 0.02004
|
|
128 8D-2 -0.00993 0.01171 0.01169 0.01877 0.00793
|
|
129 9D 0 -0.39158 0.71602 -0.23576 0.18093 -0.11321
|
|
130 9D+1 0.15103 0.02364 -0.64557 -0.17349 -0.26984
|
|
131 9D-1 -0.27984 -0.14667 0.31284 0.09851 -0.24513
|
|
132 9D+2 0.24732 -0.31024 -0.08301 -0.13709 -0.13356
|
|
133 9D-2 0.05462 -0.16609 -0.16501 -0.36638 -0.10282
|
|
134 10F 0 0.00683 -0.05669 0.00848 -0.05062 -0.00801
|
|
135 10F+1 0.00772 0.01452 0.04521 0.03392 0.01546
|
|
136 10F-1 0.03191 -0.02333 -0.01538 -0.01057 0.02995
|
|
137 10F+2 -0.02360 0.00858 0.04094 0.01131 0.00137
|
|
138 10F-2 0.02212 0.01287 0.01372 0.03934 0.02493
|
|
139 10F+3 0.00001 -0.00853 0.00104 -0.01853 -0.00004
|
|
140 10F-3 -0.00987 0.00040 0.01352 0.01233 -0.00351
|
|
141 4 H 1S 0.01685 -0.00629 -0.00194 0.02731 0.00978
|
|
142 2S -0.34301 0.24672 0.71503 0.37426 -0.41061
|
|
143 3S -1.59400 0.10411 -1.48019 -4.75659 -0.33640
|
|
144 4S 0.08875 -0.12939 -0.36389 -0.71014 0.17845
|
|
145 5PX 0.02217 -0.00878 -0.00310 0.00797 0.00843
|
|
146 5PY 0.02268 0.00655 0.03577 0.01851 0.01251
|
|
147 5PZ 0.01306 0.01232 -0.00474 -0.00747 0.00588
|
|
148 6PX -0.54600 0.33381 0.46885 -0.02750 -0.42728
|
|
149 6PY -0.13513 -0.12695 -0.43964 -0.16489 -0.04205
|
|
150 6PZ -0.22008 -0.02459 0.18003 0.09376 -0.13494
|
|
151 7PX 0.25424 -0.48510 -1.29814 -2.04310 0.94796
|
|
152 7PY 1.02349 -0.18355 0.30503 1.13533 -0.12571
|
|
153 7PZ 0.36361 0.41358 -0.94531 -0.26775 -0.35969
|
|
154 8D 0 0.02479 -0.03304 -0.02237 -0.02679 0.00818
|
|
155 8D+1 -0.04410 0.02943 0.04046 0.00099 0.00752
|
|
156 8D-1 -0.01634 0.01048 -0.01785 0.01397 -0.01552
|
|
157 8D+2 -0.03770 0.01157 0.03414 0.02140 -0.05331
|
|
158 8D-2 -0.00156 0.00784 -0.00976 0.00259 0.01639
|
|
159 9D 0 -0.11232 0.33400 0.11192 0.46294 -0.23347
|
|
160 9D+1 0.38140 -0.00540 -0.53126 0.05721 -0.37385
|
|
161 9D-1 0.25882 -0.21894 0.16537 -0.14697 0.17324
|
|
162 9D+2 0.45620 -0.16027 -0.37502 -0.45561 0.46004
|
|
163 9D-2 0.42667 -0.21942 -0.02679 0.25122 -0.35106
|
|
164 10F 0 -0.00019 -0.02898 0.02655 -0.00183 0.01191
|
|
165 10F+1 -0.00070 0.02991 -0.00666 0.03187 -0.04708
|
|
166 10F-1 -0.01421 -0.00196 -0.00586 -0.01835 0.01727
|
|
167 10F+2 0.03450 0.01128 -0.03335 -0.00008 -0.01888
|
|
168 10F-2 0.02331 -0.02442 0.01312 0.00515 0.00276
|
|
169 10F+3 0.07405 -0.03218 -0.02538 -0.01251 0.01979
|
|
170 10F-3 0.03559 -0.00044 0.01351 0.04710 -0.04943
|
|
171 5 H 1S -0.00370 -0.02270 0.01052 -0.02141 0.00280
|
|
172 2S -0.08710 0.10837 0.07675 0.40992 0.52209
|
|
173 3S 0.98197 3.19095 -1.56001 2.28347 -1.32980
|
|
174 4S 0.10501 0.37385 -0.13259 -0.24870 -0.33890
|
|
175 5PX 0.02300 -0.04223 0.02441 0.03959 -0.04794
|
|
176 5PY 0.00273 -0.00884 -0.02299 -0.00067 -0.02914
|
|
177 5PZ 0.00547 0.00976 -0.01036 0.03458 -0.00211
|
|
178 6PX -0.19115 0.33431 -0.18277 -0.21026 0.53050
|
|
179 6PY -0.07162 0.13353 0.22945 0.14370 0.32169
|
|
180 6PZ -0.04601 -0.12456 0.02972 -0.63783 -0.23067
|
|
181 7PX 0.14870 -0.23389 -0.78852 0.98582 -0.85178
|
|
182 7PY 0.75080 0.33307 0.02805 0.22591 -0.69441
|
|
183 7PZ -0.66590 -1.65124 0.63033 0.08937 0.91324
|
|
184 8D 0 -0.02415 -0.03300 0.01190 0.01633 0.01634
|
|
185 8D+1 -0.01437 0.01195 -0.03130 -0.02270 -0.03132
|
|
186 8D-1 0.00836 -0.03457 0.01349 -0.03058 -0.01260
|
|
187 8D+2 0.01800 0.02964 -0.01599 -0.01296 0.02004
|
|
188 8D-2 0.00993 0.01171 0.01169 -0.01877 0.00793
|
|
189 9D 0 0.39158 0.71602 -0.23576 -0.18093 -0.11321
|
|
190 9D+1 0.15103 -0.02364 0.64557 -0.17349 0.26984
|
|
191 9D-1 -0.27984 0.14667 -0.31284 0.09851 0.24513
|
|
192 9D+2 -0.24732 -0.31024 -0.08301 0.13709 -0.13356
|
|
193 9D-2 -0.05462 -0.16609 -0.16501 0.36638 -0.10282
|
|
194 10F 0 -0.00683 -0.05669 0.00848 0.05062 -0.00801
|
|
195 10F+1 0.00772 -0.01452 -0.04521 0.03392 -0.01546
|
|
196 10F-1 0.03191 0.02333 0.01538 -0.01057 -0.02995
|
|
197 10F+2 0.02360 0.00858 0.04094 -0.01131 0.00137
|
|
198 10F-2 -0.02212 0.01287 0.01372 -0.03934 0.02493
|
|
199 10F+3 0.00001 0.00853 -0.00104 -0.01853 0.00004
|
|
200 10F-3 -0.00987 -0.00040 -0.01352 0.01233 0.00351
|
|
201 6 H 1S -0.01685 -0.00629 -0.00194 -0.02731 0.00978
|
|
202 2S 0.34301 0.24672 0.71503 -0.37426 -0.41061
|
|
203 3S 1.59400 0.10411 -1.48019 4.75659 -0.33640
|
|
204 4S -0.08875 -0.12939 -0.36389 0.71014 0.17845
|
|
205 5PX 0.02217 0.00878 0.00310 0.00797 -0.00843
|
|
206 5PY 0.02268 -0.00655 -0.03577 0.01851 -0.01251
|
|
207 5PZ -0.01306 0.01232 -0.00474 0.00747 0.00588
|
|
208 6PX -0.54600 -0.33381 -0.46885 -0.02750 0.42728
|
|
209 6PY -0.13513 0.12695 0.43964 -0.16489 0.04205
|
|
210 6PZ 0.22008 -0.02459 0.18003 -0.09376 -0.13494
|
|
211 7PX 0.25424 0.48510 1.29814 -2.04310 -0.94796
|
|
212 7PY 1.02349 0.18355 -0.30503 1.13533 0.12571
|
|
213 7PZ -0.36361 0.41358 -0.94531 0.26775 -0.35969
|
|
214 8D 0 -0.02479 -0.03304 -0.02237 0.02679 0.00818
|
|
215 8D+1 -0.04410 -0.02943 -0.04046 0.00099 -0.00752
|
|
216 8D-1 -0.01634 -0.01048 0.01785 0.01397 0.01552
|
|
217 8D+2 0.03770 0.01157 0.03414 -0.02140 -0.05331
|
|
218 8D-2 0.00156 0.00784 -0.00976 -0.00259 0.01639
|
|
219 9D 0 0.11232 0.33400 0.11192 -0.46294 -0.23347
|
|
220 9D+1 0.38140 0.00540 0.53126 0.05721 0.37385
|
|
221 9D-1 0.25882 0.21894 -0.16537 -0.14697 -0.17324
|
|
222 9D+2 -0.45620 -0.16027 -0.37502 0.45561 0.46004
|
|
223 9D-2 -0.42667 -0.21942 -0.02679 -0.25122 -0.35106
|
|
224 10F 0 0.00019 -0.02898 0.02655 0.00183 0.01191
|
|
225 10F+1 -0.00070 -0.02991 0.00666 0.03187 0.04708
|
|
226 10F-1 -0.01421 0.00196 0.00586 -0.01835 -0.01727
|
|
227 10F+2 -0.03450 0.01128 -0.03335 0.00008 -0.01888
|
|
228 10F-2 -0.02331 -0.02442 0.01312 -0.00515 0.00276
|
|
229 10F+3 0.07405 0.03218 0.02538 -0.01251 -0.01979
|
|
230 10F-3 0.03559 0.00044 -0.01351 0.04710 0.04943
|
|
71 72 73 74 75
|
|
V V V V V
|
|
Eigenvalues -- 2.60257 2.62724 2.64783 2.73941 2.76579
|
|
1 1 N 1S -0.02131 -0.03297 -0.03992 0.01919 0.01704
|
|
2 2S 0.02825 0.05785 0.11560 -0.03838 -0.04094
|
|
3 3S 0.05853 0.28453 0.23482 -0.19346 -0.12175
|
|
4 4S -1.01207 -2.95089 1.49538 1.49714 0.78251
|
|
5 5S -1.35826 -2.51787 3.80021 0.29985 -0.94685
|
|
6 6PX -0.03428 0.00269 0.05192 0.00526 0.05607
|
|
7 6PY -0.01404 0.00956 -0.05154 -0.02078 -0.00346
|
|
8 6PZ 0.03604 0.05654 -0.01617 -0.02526 0.02502
|
|
9 7PX -0.13903 0.16582 0.25459 -0.05259 0.27182
|
|
10 7PY -0.24184 -0.12205 -0.22673 0.02908 0.16235
|
|
11 7PZ 0.03940 0.08743 -0.14576 -0.09822 0.12098
|
|
12 8PX 0.56895 -0.51693 -1.72628 -0.36578 -2.43718
|
|
13 8PY -0.38230 -0.36096 0.64108 -0.30421 -0.98510
|
|
14 8PZ 0.42540 -1.59793 0.31198 0.51454 -1.10895
|
|
15 9PX 0.19644 -0.20441 -0.19944 -0.37923 -0.59787
|
|
16 9PY 0.20492 -0.19079 -0.58962 -0.03357 0.05869
|
|
17 9PZ 0.28648 -1.22561 0.49902 -0.32469 -0.52970
|
|
18 10D 0 -0.00501 -0.01121 -0.00209 -0.00667 0.01683
|
|
19 10D+1 0.01464 -0.01081 -0.02176 -0.00585 0.02039
|
|
20 10D-1 -0.01089 0.00685 0.00568 -0.00284 0.01886
|
|
21 10D+2 0.00508 -0.01551 -0.02893 -0.00116 -0.00896
|
|
22 10D-2 -0.01630 -0.00204 0.00594 -0.02189 0.00855
|
|
23 11D 0 -0.06575 -0.08996 0.02533 0.10984 -0.17086
|
|
24 11D+1 -0.20401 -0.13364 0.13332 0.11669 0.05266
|
|
25 11D-1 -0.14995 -0.21912 -0.02815 0.03350 -0.03001
|
|
26 11D+2 -0.10406 -0.02038 0.25829 0.03661 0.19725
|
|
27 11D-2 0.12199 0.13198 0.04461 -0.04328 0.07253
|
|
28 12D 0 0.55059 0.12197 0.08910 -0.22751 -0.83279
|
|
29 12D+1 -0.18695 0.51929 0.67091 -0.03037 -0.96043
|
|
30 12D-1 0.71453 -0.28787 -0.23382 0.49907 -1.45010
|
|
31 12D+2 0.42784 0.63091 0.67645 0.29089 -0.04336
|
|
32 12D-2 0.13356 -0.31000 -0.54427 1.21898 -1.12969
|
|
33 13F 0 -0.00525 -0.03433 -0.01020 0.00818 0.00960
|
|
34 13F+1 -0.01431 -0.00969 -0.00485 0.00917 0.01098
|
|
35 13F-1 -0.02036 -0.00885 -0.02635 0.02670 0.01114
|
|
36 13F+2 0.01311 0.00458 0.00322 0.00808 -0.00463
|
|
37 13F-2 -0.00144 -0.03055 -0.00445 0.00768 0.00925
|
|
38 13F+3 0.00944 0.00302 0.01242 -0.01880 -0.02721
|
|
39 13F-3 -0.01096 -0.00228 -0.02513 0.00396 0.00715
|
|
40 14F 0 -0.09742 0.42618 0.26119 -0.05380 -0.03902
|
|
41 14F+1 0.09704 0.00310 0.23284 -0.06479 -0.06977
|
|
42 14F-1 0.28333 -0.03644 0.14648 -0.15867 -0.30615
|
|
43 14F+2 -0.17418 -0.04174 -0.00356 -0.16498 0.15115
|
|
44 14F-2 -0.10558 0.29592 0.08603 -0.07793 -0.22185
|
|
45 14F+3 -0.16996 0.06209 -0.25777 0.02626 0.31030
|
|
46 14F-3 -0.02964 -0.00936 0.29343 -0.11484 0.06408
|
|
47 15G 0 -0.00158 0.01902 0.02786 -0.01706 0.03787
|
|
48 15G+1 0.01061 -0.00969 0.00273 -0.00647 -0.00230
|
|
49 15G-1 0.01783 0.00809 0.01197 -0.01826 -0.02154
|
|
50 15G+2 -0.03106 0.00654 0.01533 -0.00719 0.00079
|
|
51 15G-2 0.00751 0.00672 0.01295 -0.00848 -0.01909
|
|
52 15G+3 0.00358 0.02345 0.01018 0.00749 0.00035
|
|
53 15G-3 0.00792 -0.02773 -0.00330 0.01692 -0.00037
|
|
54 15G+4 0.03084 0.00053 0.01678 0.03445 -0.00708
|
|
55 15G-4 0.00898 -0.00919 -0.00935 0.01271 -0.00362
|
|
56 2 N 1S -0.02131 0.03297 -0.03992 0.01919 -0.01704
|
|
57 2S 0.02825 -0.05785 0.11560 -0.03838 0.04094
|
|
58 3S 0.05853 -0.28453 0.23482 -0.19346 0.12175
|
|
59 4S -1.01207 2.95089 1.49538 1.49714 -0.78251
|
|
60 5S -1.35826 2.51787 3.80021 0.29985 0.94685
|
|
61 6PX 0.03428 0.00269 -0.05192 -0.00526 0.05607
|
|
62 6PY 0.01404 0.00956 0.05154 0.02078 -0.00346
|
|
63 6PZ 0.03604 -0.05654 -0.01617 -0.02526 -0.02502
|
|
64 7PX 0.13903 0.16582 -0.25459 0.05259 0.27182
|
|
65 7PY 0.24184 -0.12205 0.22673 -0.02908 0.16235
|
|
66 7PZ 0.03940 -0.08743 -0.14576 -0.09822 -0.12098
|
|
67 8PX -0.56895 -0.51693 1.72628 0.36578 -2.43718
|
|
68 8PY 0.38230 -0.36096 -0.64108 0.30421 -0.98510
|
|
69 8PZ 0.42540 1.59793 0.31198 0.51454 1.10895
|
|
70 9PX -0.19644 -0.20441 0.19944 0.37923 -0.59787
|
|
71 9PY -0.20492 -0.19079 0.58962 0.03357 0.05869
|
|
72 9PZ 0.28648 1.22561 0.49902 -0.32469 0.52970
|
|
73 10D 0 -0.00501 0.01121 -0.00209 -0.00667 -0.01683
|
|
74 10D+1 -0.01464 -0.01081 0.02176 0.00585 0.02039
|
|
75 10D-1 0.01089 0.00685 -0.00568 0.00284 0.01886
|
|
76 10D+2 0.00508 0.01551 -0.02893 -0.00116 0.00896
|
|
77 10D-2 -0.01630 0.00204 0.00594 -0.02189 -0.00855
|
|
78 11D 0 -0.06575 0.08996 0.02533 0.10984 0.17086
|
|
79 11D+1 0.20401 -0.13364 -0.13332 -0.11669 0.05266
|
|
80 11D-1 0.14995 -0.21912 0.02815 -0.03350 -0.03001
|
|
81 11D+2 -0.10406 0.02038 0.25829 0.03661 -0.19725
|
|
82 11D-2 0.12199 -0.13198 0.04461 -0.04328 -0.07253
|
|
83 12D 0 0.55059 -0.12197 0.08910 -0.22751 0.83279
|
|
84 12D+1 0.18695 0.51929 -0.67091 0.03037 -0.96043
|
|
85 12D-1 -0.71453 -0.28787 0.23382 -0.49907 -1.45010
|
|
86 12D+2 0.42784 -0.63091 0.67645 0.29089 0.04336
|
|
87 12D-2 0.13356 0.31000 -0.54427 1.21898 1.12969
|
|
88 13F 0 -0.00525 0.03433 -0.01020 0.00818 -0.00960
|
|
89 13F+1 0.01431 -0.00969 0.00485 -0.00917 0.01098
|
|
90 13F-1 0.02036 -0.00885 0.02635 -0.02670 0.01114
|
|
91 13F+2 0.01311 -0.00458 0.00322 0.00808 0.00463
|
|
92 13F-2 -0.00144 0.03055 -0.00445 0.00768 -0.00925
|
|
93 13F+3 -0.00944 0.00302 -0.01242 0.01880 -0.02721
|
|
94 13F-3 0.01096 -0.00228 0.02513 -0.00396 0.00715
|
|
95 14F 0 -0.09742 -0.42618 0.26119 -0.05380 0.03902
|
|
96 14F+1 -0.09704 0.00310 -0.23284 0.06479 -0.06977
|
|
97 14F-1 -0.28333 -0.03644 -0.14648 0.15867 -0.30615
|
|
98 14F+2 -0.17418 0.04174 -0.00356 -0.16498 -0.15115
|
|
99 14F-2 -0.10558 -0.29592 0.08603 -0.07793 0.22185
|
|
100 14F+3 0.16996 0.06209 0.25777 -0.02626 0.31030
|
|
101 14F-3 0.02964 -0.00936 -0.29343 0.11484 0.06408
|
|
102 15G 0 -0.00158 -0.01902 0.02786 -0.01706 -0.03787
|
|
103 15G+1 -0.01061 -0.00969 -0.00273 0.00647 -0.00230
|
|
104 15G-1 -0.01783 0.00809 -0.01197 0.01826 -0.02154
|
|
105 15G+2 -0.03106 -0.00654 0.01533 -0.00719 -0.00079
|
|
106 15G-2 0.00751 -0.00672 0.01295 -0.00848 0.01909
|
|
107 15G+3 -0.00358 0.02345 -0.01018 -0.00749 0.00035
|
|
108 15G-3 -0.00792 -0.02773 0.00330 -0.01692 -0.00037
|
|
109 15G+4 0.03084 -0.00053 0.01678 0.03445 0.00708
|
|
110 15G-4 0.00898 0.00919 -0.00935 0.01271 0.00362
|
|
111 3 H 1S 0.00719 -0.02167 0.01705 0.00549 -0.01923
|
|
112 2S -0.69664 -0.29121 -0.23948 0.05165 1.02518
|
|
113 3S 0.59358 3.60772 -1.64035 -0.77083 3.07699
|
|
114 4S 0.17279 0.65349 -0.27181 0.07376 0.11280
|
|
115 5PX 0.00348 0.01189 -0.01756 0.01231 -0.02972
|
|
116 5PY -0.00845 -0.00949 0.03359 0.01067 -0.01231
|
|
117 5PZ -0.01815 0.00569 0.01979 -0.02139 0.03695
|
|
118 6PX 0.02866 -0.04323 0.21668 -0.12342 0.13559
|
|
119 6PY 0.18988 0.19488 -0.23684 -0.14541 -0.09617
|
|
120 6PZ 0.47166 0.24640 0.09372 0.03982 -0.72036
|
|
121 7PX 0.10764 -0.51383 -0.38052 0.17378 0.11543
|
|
122 7PY -0.60253 -0.50129 1.21538 -0.04695 0.13199
|
|
123 7PZ -0.87220 -2.27456 0.25773 0.80056 -1.26664
|
|
124 8D 0 -0.04560 -0.05492 -0.02053 0.02781 -0.00153
|
|
125 8D+1 0.00749 -0.02655 -0.02800 -0.00762 0.01842
|
|
126 8D-1 -0.00522 -0.01631 0.04038 -0.00103 0.02524
|
|
127 8D+2 0.01419 0.01049 -0.00253 0.01387 -0.02026
|
|
128 8D-2 -0.00048 -0.00989 -0.01660 0.01098 -0.00125
|
|
129 9D 0 0.32621 0.86069 0.16490 -0.39899 0.58042
|
|
130 9D+1 -0.17368 0.35269 0.28595 0.02227 -0.17943
|
|
131 9D-1 0.20981 0.18141 -0.56548 -0.00117 -0.18550
|
|
132 9D+2 -0.22638 -0.01390 0.11517 -0.10921 0.23331
|
|
133 9D-2 0.01858 0.03811 0.10557 -0.13312 -0.05057
|
|
134 10F 0 -0.00741 -0.05561 -0.02520 0.02646 -0.04944
|
|
135 10F+1 -0.00121 -0.03027 -0.02437 0.01654 0.01419
|
|
136 10F-1 -0.04771 -0.03603 0.00942 0.01337 0.01175
|
|
137 10F+2 0.02799 -0.00409 -0.02239 -0.00603 -0.00932
|
|
138 10F-2 -0.01458 0.00492 0.00542 0.00794 0.02325
|
|
139 10F+3 0.02345 0.00029 -0.00247 -0.00175 0.00006
|
|
140 10F-3 0.00954 0.00007 -0.00819 0.00965 -0.00578
|
|
141 4 H 1S -0.00676 -0.00061 0.02945 0.00990 0.02217
|
|
142 2S -0.15157 -0.54868 -0.71696 0.11050 -0.28351
|
|
143 3S 1.87702 0.24477 -3.52185 -0.35927 -2.45187
|
|
144 4S 0.10305 0.10154 -0.31461 -0.25745 -0.31563
|
|
145 5PX -0.01251 0.00392 0.02215 -0.02626 0.03367
|
|
146 5PY 0.00941 -0.01070 0.04424 -0.02499 0.04861
|
|
147 5PZ -0.02930 0.00807 -0.01108 0.03561 0.03026
|
|
148 6PX 0.04775 -0.35569 -0.58158 0.36546 -0.22061
|
|
149 6PY -0.05074 0.17438 -0.27856 0.09951 -0.44259
|
|
150 6PZ 0.28382 -0.11003 -0.00002 -0.28472 -0.23143
|
|
151 7PX 1.16278 0.46956 -1.34228 -0.36424 -1.45751
|
|
152 7PY 0.09466 -0.19983 1.17175 0.96804 0.12259
|
|
153 7PZ -0.39037 0.76200 -0.38214 0.24566 -0.80465
|
|
154 8D 0 0.04303 0.02700 0.00770 -0.01628 -0.01668
|
|
155 8D+1 0.02229 -0.01139 -0.01267 0.01190 0.02517
|
|
156 8D-1 -0.00446 0.00011 0.00060 0.02666 -0.04257
|
|
157 8D+2 -0.02192 -0.03913 -0.00224 -0.01069 0.00028
|
|
158 8D-2 -0.03307 0.00860 -0.01864 -0.07552 0.00188
|
|
159 9D 0 -0.52314 -0.10208 0.14982 0.20012 0.23142
|
|
160 9D+1 -0.20376 0.39018 -0.00660 -0.09237 -0.57151
|
|
161 9D-1 0.08380 -0.08455 0.04847 -0.21405 0.44067
|
|
162 9D+2 0.50043 0.25972 -0.31028 0.22944 -0.33600
|
|
163 9D-2 0.39112 -0.06478 0.40488 0.95151 -0.07254
|
|
164 10F 0 -0.00797 -0.04137 0.00068 0.00640 0.02341
|
|
165 10F+1 -0.04051 0.01108 0.00286 0.01750 -0.00347
|
|
166 10F-1 -0.00243 -0.00440 -0.00651 -0.01657 0.00783
|
|
167 10F+2 -0.00530 0.03686 -0.00012 0.00925 -0.03851
|
|
168 10F-2 0.00644 -0.02316 0.01840 0.00899 0.00575
|
|
169 10F+3 0.04552 0.00684 0.00657 0.02546 -0.03107
|
|
170 10F-3 0.00475 -0.02434 0.01498 0.03656 0.00779
|
|
171 5 H 1S 0.00719 0.02167 0.01705 0.00549 0.01923
|
|
172 2S -0.69664 0.29121 -0.23948 0.05165 -1.02518
|
|
173 3S 0.59358 -3.60772 -1.64035 -0.77083 -3.07699
|
|
174 4S 0.17279 -0.65349 -0.27181 0.07376 -0.11280
|
|
175 5PX -0.00348 0.01189 0.01756 -0.01231 -0.02972
|
|
176 5PY 0.00845 -0.00949 -0.03359 -0.01067 -0.01231
|
|
177 5PZ -0.01815 -0.00569 0.01979 -0.02139 -0.03695
|
|
178 6PX -0.02866 -0.04323 -0.21668 0.12342 0.13559
|
|
179 6PY -0.18988 0.19488 0.23684 0.14541 -0.09617
|
|
180 6PZ 0.47166 -0.24640 0.09372 0.03982 0.72036
|
|
181 7PX -0.10764 -0.51383 0.38052 -0.17378 0.11543
|
|
182 7PY 0.60253 -0.50129 -1.21538 0.04695 0.13199
|
|
183 7PZ -0.87220 2.27456 0.25773 0.80056 1.26664
|
|
184 8D 0 -0.04560 0.05492 -0.02053 0.02781 0.00153
|
|
185 8D+1 -0.00749 -0.02655 0.02800 0.00762 0.01842
|
|
186 8D-1 0.00522 -0.01631 -0.04038 0.00103 0.02524
|
|
187 8D+2 0.01419 -0.01049 -0.00253 0.01387 0.02026
|
|
188 8D-2 -0.00048 0.00989 -0.01660 0.01098 0.00125
|
|
189 9D 0 0.32621 -0.86069 0.16490 -0.39899 -0.58042
|
|
190 9D+1 0.17368 0.35269 -0.28595 -0.02227 -0.17943
|
|
191 9D-1 -0.20981 0.18141 0.56548 0.00117 -0.18550
|
|
192 9D+2 -0.22638 0.01390 0.11517 -0.10921 -0.23331
|
|
193 9D-2 0.01858 -0.03811 0.10557 -0.13312 0.05057
|
|
194 10F 0 -0.00741 0.05561 -0.02520 0.02646 0.04944
|
|
195 10F+1 0.00121 -0.03027 0.02437 -0.01654 0.01419
|
|
196 10F-1 0.04771 -0.03603 -0.00942 -0.01337 0.01175
|
|
197 10F+2 0.02799 0.00409 -0.02239 -0.00603 0.00932
|
|
198 10F-2 -0.01458 -0.00492 0.00542 0.00794 -0.02325
|
|
199 10F+3 -0.02345 0.00029 0.00247 0.00175 0.00006
|
|
200 10F-3 -0.00954 0.00007 0.00819 -0.00965 -0.00578
|
|
201 6 H 1S -0.00676 0.00061 0.02945 0.00990 -0.02217
|
|
202 2S -0.15157 0.54868 -0.71696 0.11050 0.28351
|
|
203 3S 1.87702 -0.24477 -3.52185 -0.35927 2.45187
|
|
204 4S 0.10305 -0.10154 -0.31461 -0.25745 0.31563
|
|
205 5PX 0.01251 0.00392 -0.02215 0.02626 0.03367
|
|
206 5PY -0.00941 -0.01070 -0.04424 0.02499 0.04861
|
|
207 5PZ -0.02930 -0.00807 -0.01108 0.03561 -0.03026
|
|
208 6PX -0.04775 -0.35569 0.58158 -0.36546 -0.22061
|
|
209 6PY 0.05074 0.17438 0.27856 -0.09951 -0.44259
|
|
210 6PZ 0.28382 0.11003 -0.00002 -0.28472 0.23143
|
|
211 7PX -1.16278 0.46956 1.34228 0.36424 -1.45751
|
|
212 7PY -0.09466 -0.19983 -1.17175 -0.96804 0.12259
|
|
213 7PZ -0.39037 -0.76200 -0.38214 0.24566 0.80465
|
|
214 8D 0 0.04303 -0.02700 0.00770 -0.01628 0.01668
|
|
215 8D+1 -0.02229 -0.01139 0.01267 -0.01190 0.02517
|
|
216 8D-1 0.00446 0.00011 -0.00060 -0.02666 -0.04257
|
|
217 8D+2 -0.02192 0.03913 -0.00224 -0.01069 -0.00028
|
|
218 8D-2 -0.03307 -0.00860 -0.01864 -0.07552 -0.00188
|
|
219 9D 0 -0.52314 0.10208 0.14982 0.20012 -0.23142
|
|
220 9D+1 0.20376 0.39018 0.00660 0.09237 -0.57151
|
|
221 9D-1 -0.08380 -0.08455 -0.04847 0.21405 0.44067
|
|
222 9D+2 0.50043 -0.25972 -0.31028 0.22944 0.33600
|
|
223 9D-2 0.39112 0.06478 0.40488 0.95151 0.07254
|
|
224 10F 0 -0.00797 0.04137 0.00068 0.00640 -0.02341
|
|
225 10F+1 0.04051 0.01108 -0.00286 -0.01750 -0.00347
|
|
226 10F-1 0.00243 -0.00440 0.00651 0.01657 0.00783
|
|
227 10F+2 -0.00530 -0.03686 -0.00012 0.00925 0.03851
|
|
228 10F-2 0.00644 0.02316 0.01840 0.00899 -0.00575
|
|
229 10F+3 -0.04552 0.00684 -0.00657 -0.02546 -0.03107
|
|
230 10F-3 -0.00475 -0.02434 -0.01498 -0.03656 0.00779
|
|
76 77 78 79 80
|
|
V V V V V
|
|
Eigenvalues -- 2.79702 2.81069 2.81814 2.85551 2.88621
|
|
1 1 N 1S -0.03784 -0.01141 -0.02151 0.00542 0.01270
|
|
2 2S 0.10043 0.02962 0.04688 -0.01140 -0.05674
|
|
3 3S 0.82219 0.24658 0.48077 0.01412 -0.42520
|
|
4 4S -4.27118 -1.60873 -3.36712 -0.39429 1.54352
|
|
5 5S -3.55645 -0.37049 -0.92679 0.01473 0.38651
|
|
6 6PX -0.04341 0.05232 -0.05542 0.05249 0.00888
|
|
7 6PY -0.03679 0.01786 0.05606 0.02841 -0.05123
|
|
8 6PZ 0.00101 0.06902 0.00950 0.05043 -0.02254
|
|
9 7PX -0.19072 0.33428 -0.21385 0.23629 -0.09616
|
|
10 7PY -0.11883 0.04704 0.52404 0.03937 -0.14607
|
|
11 7PZ -0.08961 0.29617 0.01006 0.28958 0.03050
|
|
12 8PX 2.74347 -2.90491 2.01942 -2.42121 0.81292
|
|
13 8PY 0.18163 -0.16138 -3.49626 0.29382 0.34110
|
|
14 8PZ -0.29027 -3.49544 -0.65303 -3.03698 -0.24470
|
|
15 9PX 1.30200 -0.99276 0.84901 -1.57463 0.17170
|
|
16 9PY -0.28416 -0.51076 -1.77491 0.20690 -0.05499
|
|
17 9PZ -0.55587 -1.13323 -0.57586 -1.62874 0.06161
|
|
18 10D 0 -0.01106 0.04384 0.01621 0.04740 -0.00358
|
|
19 10D+1 0.00020 0.00263 0.02300 0.00521 -0.01139
|
|
20 10D-1 0.00025 0.00972 0.00702 -0.00733 -0.01096
|
|
21 10D+2 0.01937 -0.02673 0.04270 -0.00918 0.00758
|
|
22 10D-2 -0.00983 0.00623 -0.00786 -0.00040 -0.00465
|
|
23 11D 0 0.25161 -0.21625 0.02287 -0.22485 0.09835
|
|
24 11D+1 -0.12705 -0.08305 -0.07240 -0.01894 -0.11798
|
|
25 11D-1 -0.11957 -0.15983 -0.16305 -0.17389 0.22702
|
|
26 11D+2 0.16119 0.19562 -0.21870 0.05603 0.11381
|
|
27 11D-2 0.20798 -0.14862 0.13893 -0.08360 -0.06932
|
|
28 12D 0 -0.23982 -1.85091 -0.97451 -1.81363 0.39443
|
|
29 12D+1 -0.00411 0.24957 -1.25480 -0.37737 1.85777
|
|
30 12D-1 0.52475 -0.36820 0.78032 0.78693 -0.40182
|
|
31 12D+2 -1.43008 0.61748 -2.17560 0.61590 0.12135
|
|
32 12D-2 -0.19680 -0.02795 0.14598 0.04822 0.96329
|
|
33 13F 0 -0.00027 -0.00303 -0.01294 0.00379 0.01578
|
|
34 13F+1 -0.00398 -0.00774 -0.01319 -0.00003 0.01372
|
|
35 13F-1 -0.01633 -0.01451 -0.01626 -0.02497 0.00344
|
|
36 13F+2 0.01522 -0.00394 0.00214 -0.00694 -0.00899
|
|
37 13F-2 -0.01258 -0.00730 0.00183 0.00368 0.00086
|
|
38 13F+3 0.00759 -0.00125 0.01260 0.00109 -0.01610
|
|
39 13F-3 -0.03956 -0.00180 -0.02456 0.01043 0.00053
|
|
40 14F 0 -0.19475 -0.23775 -0.09424 -0.41337 -0.05809
|
|
41 14F+1 -0.21014 0.12825 -0.11365 0.02539 -0.12110
|
|
42 14F-1 0.10292 -0.16226 0.14911 0.10356 0.05473
|
|
43 14F+2 -0.13463 0.04552 0.10512 -0.05784 0.05150
|
|
44 14F-2 0.18198 0.05983 -0.20504 -0.01268 0.17724
|
|
45 14F+3 0.15120 -0.19095 0.05247 -0.20085 0.18411
|
|
46 14F-3 0.13717 0.12997 0.17961 -0.00084 0.00174
|
|
47 15G 0 -0.03881 -0.02925 0.01064 -0.04191 -0.04355
|
|
48 15G+1 -0.00821 -0.01764 0.00005 -0.02002 -0.00307
|
|
49 15G-1 0.01020 -0.02615 -0.01500 -0.01736 0.00083
|
|
50 15G+2 0.01321 -0.01785 0.00343 -0.02909 0.03623
|
|
51 15G-2 0.01880 0.01896 -0.01535 0.01963 0.00337
|
|
52 15G+3 -0.01771 -0.00161 -0.01378 -0.01439 0.00517
|
|
53 15G-3 -0.01640 0.00705 0.00505 0.00552 -0.01480
|
|
54 15G+4 -0.02242 0.02430 0.01456 0.02037 -0.01321
|
|
55 15G-4 0.00282 -0.02396 0.00688 -0.01118 0.00041
|
|
56 2 N 1S -0.03784 -0.01141 0.02151 -0.00542 0.01270
|
|
57 2S 0.10043 0.02962 -0.04688 0.01140 -0.05674
|
|
58 3S 0.82219 0.24658 -0.48077 -0.01412 -0.42520
|
|
59 4S -4.27118 -1.60873 3.36712 0.39429 1.54352
|
|
60 5S -3.55645 -0.37049 0.92679 -0.01473 0.38651
|
|
61 6PX 0.04341 -0.05232 -0.05542 0.05249 -0.00888
|
|
62 6PY 0.03679 -0.01786 0.05606 0.02841 0.05123
|
|
63 6PZ 0.00101 0.06902 -0.00950 -0.05043 -0.02254
|
|
64 7PX 0.19072 -0.33428 -0.21385 0.23629 0.09616
|
|
65 7PY 0.11883 -0.04704 0.52404 0.03937 0.14607
|
|
66 7PZ -0.08961 0.29617 -0.01006 -0.28958 0.03050
|
|
67 8PX -2.74347 2.90491 2.01942 -2.42121 -0.81292
|
|
68 8PY -0.18163 0.16138 -3.49626 0.29382 -0.34110
|
|
69 8PZ -0.29027 -3.49544 0.65303 3.03698 -0.24470
|
|
70 9PX -1.30200 0.99276 0.84901 -1.57463 -0.17170
|
|
71 9PY 0.28416 0.51076 -1.77491 0.20690 0.05499
|
|
72 9PZ -0.55587 -1.13323 0.57586 1.62874 0.06161
|
|
73 10D 0 -0.01106 0.04384 -0.01621 -0.04740 -0.00358
|
|
74 10D+1 -0.00020 -0.00263 0.02300 0.00521 0.01139
|
|
75 10D-1 -0.00025 -0.00972 0.00702 -0.00733 0.01096
|
|
76 10D+2 0.01937 -0.02673 -0.04270 0.00918 0.00758
|
|
77 10D-2 -0.00983 0.00623 0.00786 0.00040 -0.00465
|
|
78 11D 0 0.25161 -0.21625 -0.02287 0.22485 0.09835
|
|
79 11D+1 0.12705 0.08305 -0.07240 -0.01894 0.11798
|
|
80 11D-1 0.11957 0.15983 -0.16305 -0.17389 -0.22702
|
|
81 11D+2 0.16119 0.19562 0.21870 -0.05603 0.11381
|
|
82 11D-2 0.20798 -0.14862 -0.13893 0.08360 -0.06932
|
|
83 12D 0 -0.23982 -1.85091 0.97451 1.81363 0.39443
|
|
84 12D+1 0.00411 -0.24957 -1.25480 -0.37737 -1.85777
|
|
85 12D-1 -0.52475 0.36820 0.78032 0.78693 0.40182
|
|
86 12D+2 -1.43008 0.61748 2.17560 -0.61590 0.12135
|
|
87 12D-2 -0.19680 -0.02795 -0.14598 -0.04822 0.96329
|
|
88 13F 0 -0.00027 -0.00303 0.01294 -0.00379 0.01578
|
|
89 13F+1 0.00398 0.00774 -0.01319 -0.00003 -0.01372
|
|
90 13F-1 0.01633 0.01451 -0.01626 -0.02497 -0.00344
|
|
91 13F+2 0.01522 -0.00394 -0.00214 0.00694 -0.00899
|
|
92 13F-2 -0.01258 -0.00730 -0.00183 -0.00368 0.00086
|
|
93 13F+3 -0.00759 0.00125 0.01260 0.00109 0.01610
|
|
94 13F-3 0.03956 0.00180 -0.02456 0.01043 -0.00053
|
|
95 14F 0 -0.19475 -0.23775 0.09424 0.41337 -0.05809
|
|
96 14F+1 0.21014 -0.12825 -0.11365 0.02539 0.12110
|
|
97 14F-1 -0.10292 0.16226 0.14911 0.10356 -0.05473
|
|
98 14F+2 -0.13463 0.04552 -0.10512 0.05784 0.05150
|
|
99 14F-2 0.18198 0.05983 0.20504 0.01268 0.17724
|
|
100 14F+3 -0.15120 0.19095 0.05247 -0.20085 -0.18411
|
|
101 14F-3 -0.13717 -0.12997 0.17961 -0.00084 -0.00174
|
|
102 15G 0 -0.03881 -0.02925 -0.01064 0.04191 -0.04355
|
|
103 15G+1 0.00821 0.01764 0.00005 -0.02002 0.00307
|
|
104 15G-1 -0.01020 0.02615 -0.01500 -0.01736 -0.00083
|
|
105 15G+2 0.01321 -0.01785 -0.00343 0.02909 0.03623
|
|
106 15G-2 0.01880 0.01896 0.01535 -0.01963 0.00337
|
|
107 15G+3 0.01771 0.00161 -0.01378 -0.01439 -0.00517
|
|
108 15G-3 0.01640 -0.00705 0.00505 0.00552 0.01480
|
|
109 15G+4 -0.02242 0.02430 -0.01456 -0.02037 -0.01321
|
|
110 15G-4 0.00282 -0.02396 -0.00688 0.01118 0.00041
|
|
111 3 H 1S -0.01603 -0.04786 -0.01827 -0.04034 0.00767
|
|
112 2S -0.29402 0.88407 0.37373 0.31401 -0.06182
|
|
113 3S 1.88795 5.20527 2.41542 4.72715 -1.68122
|
|
114 4S 0.20418 0.50348 0.29103 0.74992 -0.02842
|
|
115 5PX -0.01103 0.03242 -0.02085 0.00641 0.07520
|
|
116 5PY 0.03983 0.04121 0.06440 0.01947 -0.02563
|
|
117 5PZ -0.01209 0.02280 0.01738 0.02697 -0.02478
|
|
118 6PX 0.11462 -0.35577 0.13612 -0.12349 -0.57038
|
|
119 6PY -0.31090 -0.43203 -0.59075 -0.21509 0.19865
|
|
120 6PZ 0.15701 -0.43557 -0.26749 -0.40805 0.21581
|
|
121 7PX -0.34199 -1.10500 0.14795 -0.69120 -0.43141
|
|
122 7PY -1.02318 -1.30133 -0.68512 -2.31474 0.35806
|
|
123 7PZ -0.47739 -2.24058 -0.95364 -1.46916 0.89827
|
|
124 8D 0 -0.00497 0.02343 0.01219 0.04168 0.00426
|
|
125 8D+1 -0.01099 -0.02693 0.02844 -0.02618 -0.02289
|
|
126 8D-1 -0.02833 -0.03158 -0.04223 -0.02891 0.00772
|
|
127 8D+2 0.00915 -0.00105 -0.00931 0.02734 0.01940
|
|
128 8D-2 -0.00227 -0.00999 0.01374 -0.01311 -0.01337
|
|
129 9D 0 -0.12073 0.12171 0.19924 -0.35611 -0.34919
|
|
130 9D+1 0.16433 0.72215 -0.25986 0.47999 0.37777
|
|
131 9D-1 0.57816 0.89567 0.69684 0.97297 -0.15707
|
|
132 9D+2 -0.19258 -0.08350 -0.01220 -0.54205 -0.10293
|
|
133 9D-2 0.13484 0.34310 -0.08883 0.38609 0.18766
|
|
134 10F 0 0.02593 0.01184 -0.03159 0.04801 0.04973
|
|
135 10F+1 -0.00656 -0.03665 -0.00086 -0.00987 -0.00671
|
|
136 10F-1 -0.03337 -0.04628 -0.01085 -0.05251 0.02052
|
|
137 10F+2 0.02754 0.01226 0.02186 0.05453 -0.02426
|
|
138 10F-2 -0.02921 -0.03506 -0.01120 -0.04415 -0.00380
|
|
139 10F+3 0.01298 0.01104 0.01213 0.02540 0.00030
|
|
140 10F-3 -0.00751 -0.00669 0.00727 0.00062 0.00536
|
|
141 4 H 1S -0.04339 0.02849 -0.03522 0.02842 -0.00117
|
|
142 2S 0.35599 -0.72599 0.64633 -0.29494 0.06854
|
|
143 3S 5.01494 -4.05379 5.02334 -4.47386 0.12384
|
|
144 4S 0.29786 -0.32233 0.56149 -0.68845 0.05782
|
|
145 5PX -0.03317 0.03735 -0.04321 0.02120 0.01777
|
|
146 5PY 0.05761 -0.00478 0.00990 -0.02448 -0.02774
|
|
147 5PZ 0.01270 0.00079 0.02797 0.03573 -0.08419
|
|
148 6PX 0.40908 -0.64938 0.56975 -0.28367 -0.01959
|
|
149 6PY -0.54651 0.13042 -0.16185 0.27309 0.14800
|
|
150 6PZ -0.06093 -0.10034 -0.18883 -0.34078 0.69466
|
|
151 7PX 1.92744 -1.51472 2.33294 -1.65324 -0.15264
|
|
152 7PY -1.07071 0.94890 -0.99202 0.85387 0.11699
|
|
153 7PZ 1.04758 -0.64667 0.16989 -0.84414 0.81407
|
|
154 8D 0 -0.00460 0.00537 -0.01246 0.01144 0.00688
|
|
155 8D+1 -0.01511 0.01230 0.01213 0.02828 -0.04865
|
|
156 8D-1 0.03553 -0.00612 -0.00422 -0.00466 -0.01170
|
|
157 8D+2 -0.01014 -0.02945 -0.00216 -0.00335 0.02108
|
|
158 8D-2 0.00784 0.00938 0.02422 0.00073 -0.02998
|
|
159 9D 0 -0.16222 0.16084 -0.24885 0.01375 0.08756
|
|
160 9D+1 0.48897 -0.42611 -0.07315 -0.58740 0.78806
|
|
161 9D-1 -0.52872 0.18760 0.00157 0.16821 0.03051
|
|
162 9D+2 0.28295 -0.03643 0.50973 -0.13196 -0.31352
|
|
163 9D-2 -0.61986 0.26436 -0.56278 0.35460 0.20742
|
|
164 10F 0 -0.02687 0.02393 -0.00967 0.02197 -0.02352
|
|
165 10F+1 -0.01243 -0.00053 -0.04428 -0.00877 0.04678
|
|
166 10F-1 -0.00150 -0.00865 0.00056 -0.01243 -0.00123
|
|
167 10F+2 0.02630 -0.01237 -0.00533 -0.01546 0.01473
|
|
168 10F-2 -0.03884 0.01707 -0.01087 0.01527 -0.01404
|
|
169 10F+3 -0.01545 0.01028 0.02882 0.00676 -0.02512
|
|
170 10F-3 -0.04766 0.01973 -0.02833 0.02856 -0.00246
|
|
171 5 H 1S -0.01603 -0.04786 0.01827 0.04034 0.00767
|
|
172 2S -0.29402 0.88407 -0.37373 -0.31401 -0.06182
|
|
173 3S 1.88795 5.20527 -2.41542 -4.72715 -1.68122
|
|
174 4S 0.20418 0.50348 -0.29103 -0.74992 -0.02842
|
|
175 5PX 0.01103 -0.03242 -0.02085 0.00641 -0.07520
|
|
176 5PY -0.03983 -0.04121 0.06440 0.01947 0.02563
|
|
177 5PZ -0.01209 0.02280 -0.01738 -0.02697 -0.02478
|
|
178 6PX -0.11462 0.35577 0.13612 -0.12349 0.57038
|
|
179 6PY 0.31090 0.43203 -0.59075 -0.21509 -0.19865
|
|
180 6PZ 0.15701 -0.43557 0.26749 0.40805 0.21581
|
|
181 7PX 0.34199 1.10500 0.14795 -0.69120 0.43141
|
|
182 7PY 1.02318 1.30133 -0.68512 -2.31474 -0.35806
|
|
183 7PZ -0.47739 -2.24058 0.95364 1.46916 0.89827
|
|
184 8D 0 -0.00497 0.02343 -0.01219 -0.04168 0.00426
|
|
185 8D+1 0.01099 0.02693 0.02844 -0.02618 0.02289
|
|
186 8D-1 0.02833 0.03158 -0.04223 -0.02891 -0.00772
|
|
187 8D+2 0.00915 -0.00105 0.00931 -0.02734 0.01940
|
|
188 8D-2 -0.00227 -0.00999 -0.01374 0.01311 -0.01337
|
|
189 9D 0 -0.12073 0.12171 -0.19924 0.35611 -0.34919
|
|
190 9D+1 -0.16433 -0.72215 -0.25986 0.47999 -0.37777
|
|
191 9D-1 -0.57816 -0.89567 0.69684 0.97297 0.15707
|
|
192 9D+2 -0.19258 -0.08350 0.01220 0.54205 -0.10293
|
|
193 9D-2 0.13484 0.34310 0.08883 -0.38609 0.18766
|
|
194 10F 0 0.02593 0.01184 0.03159 -0.04801 0.04973
|
|
195 10F+1 0.00656 0.03665 -0.00086 -0.00987 0.00671
|
|
196 10F-1 0.03337 0.04628 -0.01085 -0.05251 -0.02052
|
|
197 10F+2 0.02754 0.01226 -0.02186 -0.05453 -0.02426
|
|
198 10F-2 -0.02921 -0.03506 0.01120 0.04415 -0.00380
|
|
199 10F+3 -0.01298 -0.01104 0.01213 0.02540 -0.00030
|
|
200 10F-3 0.00751 0.00669 0.00727 0.00062 -0.00536
|
|
201 6 H 1S -0.04339 0.02849 0.03522 -0.02842 -0.00117
|
|
202 2S 0.35599 -0.72599 -0.64633 0.29494 0.06854
|
|
203 3S 5.01494 -4.05379 -5.02334 4.47386 0.12384
|
|
204 4S 0.29786 -0.32233 -0.56149 0.68845 0.05782
|
|
205 5PX 0.03317 -0.03735 -0.04321 0.02120 -0.01777
|
|
206 5PY -0.05761 0.00478 0.00990 -0.02448 0.02774
|
|
207 5PZ 0.01270 0.00079 -0.02797 -0.03573 -0.08419
|
|
208 6PX -0.40908 0.64938 0.56975 -0.28367 0.01959
|
|
209 6PY 0.54651 -0.13042 -0.16185 0.27309 -0.14800
|
|
210 6PZ -0.06093 -0.10034 0.18883 0.34078 0.69466
|
|
211 7PX -1.92744 1.51472 2.33294 -1.65324 0.15264
|
|
212 7PY 1.07071 -0.94890 -0.99202 0.85387 -0.11699
|
|
213 7PZ 1.04758 -0.64667 -0.16989 0.84414 0.81407
|
|
214 8D 0 -0.00460 0.00537 0.01246 -0.01144 0.00688
|
|
215 8D+1 0.01511 -0.01230 0.01213 0.02828 0.04865
|
|
216 8D-1 -0.03553 0.00612 -0.00422 -0.00466 0.01170
|
|
217 8D+2 -0.01014 -0.02945 0.00216 0.00335 0.02108
|
|
218 8D-2 0.00784 0.00938 -0.02422 -0.00073 -0.02998
|
|
219 9D 0 -0.16222 0.16084 0.24885 -0.01375 0.08756
|
|
220 9D+1 -0.48897 0.42611 -0.07315 -0.58740 -0.78806
|
|
221 9D-1 0.52872 -0.18760 0.00157 0.16821 -0.03051
|
|
222 9D+2 0.28295 -0.03643 -0.50973 0.13196 -0.31352
|
|
223 9D-2 -0.61986 0.26436 0.56278 -0.35460 0.20742
|
|
224 10F 0 -0.02687 0.02393 0.00967 -0.02197 -0.02352
|
|
225 10F+1 0.01243 0.00053 -0.04428 -0.00877 -0.04678
|
|
226 10F-1 0.00150 0.00865 0.00056 -0.01243 0.00123
|
|
227 10F+2 0.02630 -0.01237 0.00533 0.01546 0.01473
|
|
228 10F-2 -0.03884 0.01707 0.01087 -0.01527 -0.01404
|
|
229 10F+3 0.01545 -0.01028 0.02882 0.00676 0.02512
|
|
230 10F-3 0.04766 -0.01973 -0.02833 0.02856 0.00246
|
|
81 82 83 84 85
|
|
V V V V V
|
|
Eigenvalues -- 2.94934 2.97752 3.03547 3.04081 3.08769
|
|
1 1 N 1S -0.00282 -0.02394 -0.01080 0.02529 0.01818
|
|
2 2S -0.01390 0.06900 -0.00949 -0.12197 -0.09980
|
|
3 3S -0.30206 0.32011 -0.37457 -1.16084 -1.18685
|
|
4 4S 0.68827 -0.45927 1.23269 4.46638 5.41654
|
|
5 5S 1.66405 -1.70951 1.31621 2.71841 6.43318
|
|
6 6PX -0.02113 0.00741 -0.00194 0.03169 0.01309
|
|
7 6PY 0.05048 -0.00616 0.01898 -0.03012 -0.02376
|
|
8 6PZ -0.02735 0.02201 0.02920 -0.02173 -0.01951
|
|
9 7PX -0.06180 0.00795 -0.13093 -0.01040 -0.10501
|
|
10 7PY 0.28624 -0.02836 0.60921 -0.10508 -0.18216
|
|
11 7PZ -0.10378 -0.05406 0.28336 0.04464 0.01723
|
|
12 8PX 1.05842 -1.23366 -0.55982 -1.16103 -1.05328
|
|
13 8PY -0.27014 -0.11006 -3.89542 1.27627 1.91961
|
|
14 8PZ 0.92080 -1.19511 -2.46741 0.44718 1.45566
|
|
15 9PX 0.88508 -0.83388 0.03890 -0.70752 -1.03313
|
|
16 9PY -0.31352 0.80287 -2.18255 0.61948 0.10359
|
|
17 9PZ 0.77287 -0.77956 -1.55673 0.19187 0.66062
|
|
18 10D 0 -0.00365 0.01483 0.04060 0.00985 -0.00950
|
|
19 10D+1 -0.00607 0.00705 -0.01003 -0.01197 -0.00370
|
|
20 10D-1 -0.01552 0.00820 0.02861 0.01336 -0.01998
|
|
21 10D+2 0.03561 0.00385 0.01983 -0.01664 -0.01121
|
|
22 10D-2 -0.00361 0.03299 0.01297 0.01613 -0.00497
|
|
23 11D 0 0.00559 -0.12186 -0.07798 0.12967 0.13857
|
|
24 11D+1 -0.08155 -0.01742 -0.15318 0.00752 -0.09822
|
|
25 11D-1 0.10758 -0.07796 0.01287 -0.33454 -0.02314
|
|
26 11D+2 -0.09386 -0.06671 0.09870 0.16248 0.12579
|
|
27 11D-2 0.20137 -0.06067 -0.18426 -0.06929 0.07756
|
|
28 12D 0 0.12335 -0.04333 -1.74933 -0.49788 0.24220
|
|
29 12D+1 0.29683 -0.60801 1.01828 0.71062 0.74278
|
|
30 12D-1 -0.28720 -0.09591 -1.40785 0.37412 1.56290
|
|
31 12D+2 -1.27041 0.45236 -0.92334 0.43703 0.06754
|
|
32 12D-2 -0.86090 -0.27554 -0.03178 -0.40666 0.33557
|
|
33 13F 0 -0.00007 -0.00508 0.00695 0.02920 0.00426
|
|
34 13F+1 -0.00323 0.00428 -0.01122 0.01117 0.00795
|
|
35 13F-1 -0.00847 -0.00462 -0.01116 0.01016 -0.00035
|
|
36 13F+2 -0.00069 0.00418 0.01625 -0.00226 -0.01239
|
|
37 13F-2 -0.00924 -0.00402 -0.02369 0.00437 -0.02507
|
|
38 13F+3 -0.01201 0.01513 -0.00046 -0.00173 0.00047
|
|
39 13F-3 -0.01609 -0.02708 -0.03525 0.01866 0.01230
|
|
40 14F 0 0.05094 0.01906 -0.10700 -0.32766 0.14452
|
|
41 14F+1 -0.02822 -0.14730 0.15813 0.20706 0.10691
|
|
42 14F-1 0.29228 -0.13059 0.02864 -0.11336 0.27193
|
|
43 14F+2 -0.03405 -0.06958 -0.13059 -0.09132 -0.11074
|
|
44 14F-2 0.27465 -0.00594 0.37312 0.16943 0.56441
|
|
45 14F+3 0.35035 -0.11432 -0.07790 -0.12854 -0.16416
|
|
46 14F-3 0.26826 0.41507 0.67712 0.09044 -0.00732
|
|
47 15G 0 -0.00802 0.00970 -0.00612 -0.01125 -0.01273
|
|
48 15G+1 -0.00293 -0.01379 -0.00258 0.01397 -0.00953
|
|
49 15G-1 0.03285 0.00158 -0.02051 -0.00897 0.02904
|
|
50 15G+2 0.02681 -0.00966 0.06309 -0.00590 -0.02570
|
|
51 15G-2 0.00831 0.00086 0.00932 0.04028 0.02188
|
|
52 15G+3 -0.01473 0.00367 0.01361 -0.00988 -0.00184
|
|
53 15G-3 -0.02697 -0.00884 0.00521 0.00104 -0.02252
|
|
54 15G+4 -0.02197 -0.01321 0.03352 -0.00861 0.00492
|
|
55 15G-4 -0.01018 -0.01114 -0.01237 -0.02105 -0.01045
|
|
56 2 N 1S 0.00282 -0.02394 0.01080 0.02529 -0.01818
|
|
57 2S 0.01390 0.06900 0.00949 -0.12197 0.09980
|
|
58 3S 0.30206 0.32011 0.37457 -1.16084 1.18685
|
|
59 4S -0.68827 -0.45927 -1.23269 4.46638 -5.41654
|
|
60 5S -1.66405 -1.70951 -1.31621 2.71841 -6.43318
|
|
61 6PX -0.02113 -0.00741 -0.00194 -0.03169 0.01309
|
|
62 6PY 0.05048 0.00616 0.01898 0.03012 -0.02376
|
|
63 6PZ 0.02735 0.02201 -0.02920 -0.02173 0.01951
|
|
64 7PX -0.06180 -0.00795 -0.13093 0.01040 -0.10501
|
|
65 7PY 0.28624 0.02836 0.60921 0.10508 -0.18216
|
|
66 7PZ 0.10378 -0.05406 -0.28336 0.04464 -0.01723
|
|
67 8PX 1.05842 1.23366 -0.55982 1.16103 -1.05328
|
|
68 8PY -0.27014 0.11006 -3.89542 -1.27627 1.91961
|
|
69 8PZ -0.92080 -1.19511 2.46741 0.44718 -1.45566
|
|
70 9PX 0.88508 0.83388 0.03890 0.70752 -1.03313
|
|
71 9PY -0.31352 -0.80287 -2.18255 -0.61948 0.10359
|
|
72 9PZ -0.77287 -0.77956 1.55673 0.19187 -0.66062
|
|
73 10D 0 0.00365 0.01483 -0.04060 0.00985 0.00950
|
|
74 10D+1 -0.00607 -0.00705 -0.01003 0.01197 -0.00370
|
|
75 10D-1 -0.01552 -0.00820 0.02861 -0.01336 -0.01998
|
|
76 10D+2 -0.03561 0.00385 -0.01983 -0.01664 0.01121
|
|
77 10D-2 0.00361 0.03299 -0.01297 0.01613 0.00497
|
|
78 11D 0 -0.00559 -0.12186 0.07798 0.12967 -0.13857
|
|
79 11D+1 -0.08155 0.01742 -0.15318 -0.00752 -0.09822
|
|
80 11D-1 0.10758 0.07796 0.01287 0.33454 -0.02314
|
|
81 11D+2 0.09386 -0.06671 -0.09870 0.16248 -0.12579
|
|
82 11D-2 -0.20137 -0.06067 0.18426 -0.06929 -0.07756
|
|
83 12D 0 -0.12335 -0.04333 1.74933 -0.49788 -0.24220
|
|
84 12D+1 0.29683 0.60801 1.01828 -0.71062 0.74278
|
|
85 12D-1 -0.28720 0.09591 -1.40785 -0.37412 1.56290
|
|
86 12D+2 1.27041 0.45236 0.92334 0.43703 -0.06754
|
|
87 12D-2 0.86090 -0.27554 0.03178 -0.40666 -0.33557
|
|
88 13F 0 0.00007 -0.00508 -0.00695 0.02920 -0.00426
|
|
89 13F+1 -0.00323 -0.00428 -0.01122 -0.01117 0.00795
|
|
90 13F-1 -0.00847 0.00462 -0.01116 -0.01016 -0.00035
|
|
91 13F+2 0.00069 0.00418 -0.01625 -0.00226 0.01239
|
|
92 13F-2 0.00924 -0.00402 0.02369 0.00437 0.02507
|
|
93 13F+3 -0.01201 -0.01513 -0.00046 0.00173 0.00047
|
|
94 13F-3 -0.01609 0.02708 -0.03525 -0.01866 0.01230
|
|
95 14F 0 -0.05094 0.01906 0.10700 -0.32766 -0.14452
|
|
96 14F+1 -0.02822 0.14730 0.15813 -0.20706 0.10691
|
|
97 14F-1 0.29228 0.13059 0.02864 0.11336 0.27193
|
|
98 14F+2 0.03405 -0.06958 0.13059 -0.09132 0.11074
|
|
99 14F-2 -0.27465 -0.00594 -0.37312 0.16943 -0.56441
|
|
100 14F+3 0.35035 0.11432 -0.07790 0.12854 -0.16416
|
|
101 14F-3 0.26826 -0.41507 0.67712 -0.09044 -0.00732
|
|
102 15G 0 0.00802 0.00970 0.00612 -0.01125 0.01273
|
|
103 15G+1 -0.00293 0.01379 -0.00258 -0.01397 -0.00953
|
|
104 15G-1 0.03285 -0.00158 -0.02051 0.00897 0.02904
|
|
105 15G+2 -0.02681 -0.00966 -0.06309 -0.00590 0.02570
|
|
106 15G-2 -0.00831 0.00086 -0.00932 0.04028 -0.02188
|
|
107 15G+3 -0.01473 -0.00367 0.01361 0.00988 -0.00184
|
|
108 15G-3 -0.02697 0.00884 0.00521 -0.00104 -0.02252
|
|
109 15G+4 0.02197 -0.01321 -0.03352 -0.00861 -0.00492
|
|
110 15G-4 0.01018 -0.01114 0.01237 -0.02105 0.01045
|
|
111 3 H 1S 0.01255 -0.02020 -0.00755 0.01663 0.04692
|
|
112 2S -0.26933 -0.05050 0.65913 -0.15418 -0.75278
|
|
113 3S -1.96196 3.25192 4.19011 -1.73010 -5.18367
|
|
114 4S -0.20925 0.31222 0.37636 -0.18931 -0.28079
|
|
115 5PX -0.01634 -0.00307 0.06276 0.02535 0.03133
|
|
116 5PY -0.04994 -0.01176 0.02713 0.00494 0.04033
|
|
117 5PZ 0.00056 0.02542 0.03982 -0.04011 -0.04929
|
|
118 6PX 0.18589 -0.01172 -0.58763 -0.25748 -0.14469
|
|
119 6PY 0.52247 0.10020 -0.38124 -0.07594 -0.18789
|
|
120 6PZ 0.21189 -0.31001 -0.52703 0.32169 0.85716
|
|
121 7PX 0.13537 0.25549 -1.22949 -0.29301 0.92781
|
|
122 7PY -0.23819 -1.01253 0.12880 0.23248 0.40402
|
|
123 7PZ 0.83763 -1.38403 -1.30505 0.94791 2.18566
|
|
124 8D 0 -0.00008 -0.00755 0.00143 -0.00449 -0.00937
|
|
125 8D+1 0.02024 0.00713 0.00057 -0.02157 0.02762
|
|
126 8D-1 -0.01684 -0.01761 0.03483 0.03205 -0.03265
|
|
127 8D+2 0.03027 0.01924 -0.01928 -0.02882 0.00557
|
|
128 8D-2 -0.04055 0.04017 0.00137 0.01061 0.03126
|
|
129 9D 0 -0.31238 0.40176 0.19902 -0.38417 -0.67731
|
|
130 9D+1 -0.32604 -0.08193 0.58780 0.38044 -0.50495
|
|
131 9D-1 -0.01026 0.40018 -0.17552 -0.38168 0.12873
|
|
132 9D+2 -0.33590 -0.26656 0.34451 0.33379 -0.09999
|
|
133 9D-2 0.38573 -0.38836 0.20896 0.05130 -0.31707
|
|
134 10F 0 0.02003 -0.02970 0.01427 0.04974 0.05794
|
|
135 10F+1 0.00612 -0.00275 -0.06034 -0.01236 0.01449
|
|
136 10F-1 0.00534 -0.02931 0.00545 0.01643 0.01472
|
|
137 10F+2 0.01260 0.01843 -0.04222 -0.00219 0.00126
|
|
138 10F-2 -0.00062 -0.00259 -0.02554 -0.03334 0.00218
|
|
139 10F+3 -0.01009 0.00503 -0.01242 0.01215 0.00854
|
|
140 10F-3 -0.01318 0.01303 -0.00791 -0.01321 0.01647
|
|
141 4 H 1S -0.01202 0.01196 0.02300 0.02489 0.04149
|
|
142 2S -0.18881 -0.68952 -0.65036 -0.35858 -0.11847
|
|
143 3S 2.15496 -0.40656 -0.94082 -4.18202 -4.03693
|
|
144 4S 0.37426 -0.20472 0.06500 -0.09058 -0.57215
|
|
145 5PX 0.01219 -0.00854 0.00185 0.04932 0.02704
|
|
146 5PY 0.04678 -0.06237 -0.00561 -0.02910 0.00069
|
|
147 5PZ -0.00890 0.02360 -0.03590 0.00789 -0.02494
|
|
148 6PX -0.05671 -0.13973 -0.36279 -0.65066 -0.43537
|
|
149 6PY -0.40510 0.59153 0.05758 0.33772 0.06780
|
|
150 6PZ 0.11160 -0.22788 0.18104 -0.17639 0.16580
|
|
151 7PX 0.60492 -0.48988 -0.76447 -1.70707 -1.52011
|
|
152 7PY -1.32073 -0.93746 0.17719 0.04585 1.06762
|
|
153 7PZ 0.61251 -0.06235 0.49086 -0.59173 -0.29404
|
|
154 8D 0 -0.00731 0.02880 0.00029 0.01657 -0.01299
|
|
155 8D+1 -0.02249 -0.00403 0.00181 0.01316 0.00788
|
|
156 8D-1 -0.01776 0.01268 0.01227 0.01697 -0.02927
|
|
157 8D+2 0.03014 0.03681 0.00294 0.00613 -0.02291
|
|
158 8D-2 0.02635 -0.00518 -0.01017 0.02961 -0.02131
|
|
159 9D 0 0.03096 -0.23294 0.24578 0.09443 0.42536
|
|
160 9D+1 0.44244 -0.09604 0.04994 -0.50599 -0.09601
|
|
161 9D-1 -0.03163 -0.14383 -0.13350 -0.08551 0.30745
|
|
162 9D+2 -0.45574 -0.66614 -0.39789 -0.51677 -0.12264
|
|
163 9D-2 -0.72674 0.00717 0.15371 -0.07741 0.51385
|
|
164 10F 0 -0.01826 -0.00571 -0.00716 0.02445 -0.01489
|
|
165 10F+1 0.00012 -0.01336 0.03933 0.02742 0.03320
|
|
166 10F-1 0.00388 0.00301 0.00722 0.00244 -0.01162
|
|
167 10F+2 0.01692 -0.00906 0.02474 -0.03790 -0.00119
|
|
168 10F-2 -0.04364 -0.00814 0.00005 0.01672 0.00498
|
|
169 10F+3 -0.03903 -0.02619 -0.01816 -0.03074 -0.01384
|
|
170 10F-3 -0.04836 -0.02673 0.00782 0.01883 0.02269
|
|
171 5 H 1S -0.01255 -0.02020 0.00755 0.01663 -0.04692
|
|
172 2S 0.26933 -0.05050 -0.65913 -0.15418 0.75278
|
|
173 3S 1.96196 3.25192 -4.19011 -1.73010 5.18367
|
|
174 4S 0.20925 0.31222 -0.37636 -0.18931 0.28079
|
|
175 5PX -0.01634 0.00307 0.06276 -0.02535 0.03133
|
|
176 5PY -0.04994 0.01176 0.02713 -0.00494 0.04033
|
|
177 5PZ -0.00056 0.02542 -0.03982 -0.04011 0.04929
|
|
178 6PX 0.18589 0.01172 -0.58763 0.25748 -0.14469
|
|
179 6PY 0.52247 -0.10020 -0.38124 0.07594 -0.18789
|
|
180 6PZ -0.21189 -0.31001 0.52703 0.32169 -0.85716
|
|
181 7PX 0.13537 -0.25549 -1.22949 0.29301 0.92781
|
|
182 7PY -0.23819 1.01253 0.12880 -0.23248 0.40402
|
|
183 7PZ -0.83763 -1.38403 1.30505 0.94791 -2.18566
|
|
184 8D 0 0.00008 -0.00755 -0.00143 -0.00449 0.00937
|
|
185 8D+1 0.02024 -0.00713 0.00057 0.02157 0.02762
|
|
186 8D-1 -0.01684 0.01761 0.03483 -0.03205 -0.03265
|
|
187 8D+2 -0.03027 0.01924 0.01928 -0.02882 -0.00557
|
|
188 8D-2 0.04055 0.04017 -0.00137 0.01061 -0.03126
|
|
189 9D 0 0.31238 0.40176 -0.19902 -0.38417 0.67731
|
|
190 9D+1 -0.32604 0.08193 0.58780 -0.38044 -0.50495
|
|
191 9D-1 -0.01026 -0.40018 -0.17552 0.38168 0.12873
|
|
192 9D+2 0.33590 -0.26656 -0.34451 0.33379 0.09999
|
|
193 9D-2 -0.38573 -0.38836 -0.20896 0.05130 0.31707
|
|
194 10F 0 -0.02003 -0.02970 -0.01427 0.04974 -0.05794
|
|
195 10F+1 0.00612 0.00275 -0.06034 0.01236 0.01449
|
|
196 10F-1 0.00534 0.02931 0.00545 -0.01643 0.01472
|
|
197 10F+2 -0.01260 0.01843 0.04222 -0.00219 -0.00126
|
|
198 10F-2 0.00062 -0.00259 0.02554 -0.03334 -0.00218
|
|
199 10F+3 -0.01009 -0.00503 -0.01242 -0.01215 0.00854
|
|
200 10F-3 -0.01318 -0.01303 -0.00791 0.01321 0.01647
|
|
201 6 H 1S 0.01202 0.01196 -0.02300 0.02489 -0.04149
|
|
202 2S 0.18881 -0.68952 0.65036 -0.35858 0.11847
|
|
203 3S -2.15496 -0.40656 0.94082 -4.18202 4.03693
|
|
204 4S -0.37426 -0.20472 -0.06500 -0.09058 0.57215
|
|
205 5PX 0.01219 0.00854 0.00185 -0.04932 0.02704
|
|
206 5PY 0.04678 0.06237 -0.00561 0.02910 0.00069
|
|
207 5PZ 0.00890 0.02360 0.03590 0.00789 0.02494
|
|
208 6PX -0.05671 0.13973 -0.36279 0.65066 -0.43537
|
|
209 6PY -0.40510 -0.59153 0.05758 -0.33772 0.06780
|
|
210 6PZ -0.11160 -0.22788 -0.18104 -0.17639 -0.16580
|
|
211 7PX 0.60492 0.48988 -0.76447 1.70707 -1.52011
|
|
212 7PY -1.32073 0.93746 0.17719 -0.04585 1.06762
|
|
213 7PZ -0.61251 -0.06235 -0.49086 -0.59173 0.29404
|
|
214 8D 0 0.00731 0.02880 -0.00029 0.01657 0.01299
|
|
215 8D+1 -0.02249 0.00403 0.00181 -0.01316 0.00788
|
|
216 8D-1 -0.01776 -0.01268 0.01227 -0.01697 -0.02927
|
|
217 8D+2 -0.03014 0.03681 -0.00294 0.00613 0.02291
|
|
218 8D-2 -0.02635 -0.00518 0.01017 0.02961 0.02131
|
|
219 9D 0 -0.03096 -0.23294 -0.24578 0.09443 -0.42536
|
|
220 9D+1 0.44244 0.09604 0.04994 0.50599 -0.09601
|
|
221 9D-1 -0.03163 0.14383 -0.13350 0.08551 0.30745
|
|
222 9D+2 0.45574 -0.66614 0.39789 -0.51677 0.12264
|
|
223 9D-2 0.72674 0.00717 -0.15371 -0.07741 -0.51385
|
|
224 10F 0 0.01826 -0.00571 0.00716 0.02445 0.01489
|
|
225 10F+1 0.00012 0.01336 0.03933 -0.02742 0.03320
|
|
226 10F-1 0.00388 -0.00301 0.00722 -0.00244 -0.01162
|
|
227 10F+2 -0.01692 -0.00906 -0.02474 -0.03790 0.00119
|
|
228 10F-2 0.04364 -0.00814 -0.00005 0.01672 -0.00498
|
|
229 10F+3 -0.03903 0.02619 -0.01816 0.03074 -0.01384
|
|
230 10F-3 -0.04836 0.02673 0.00782 -0.01883 0.02269
|
|
86 87 88 89 90
|
|
V V V V V
|
|
Eigenvalues -- 3.11226 3.14442 3.18303 3.27917 3.31419
|
|
1 1 N 1S 0.01230 0.01412 0.05427 -0.01844 -0.00254
|
|
2 2S -0.03175 -0.03196 -0.15500 0.10024 0.01011
|
|
3 3S 0.14525 0.14958 -0.51125 1.16357 0.30521
|
|
4 4S -1.70523 -1.79996 0.08265 -5.01906 -2.13780
|
|
5 5S -0.86636 -0.85215 -1.01249 -3.22701 -1.10885
|
|
6 6PX 0.00761 -0.00414 0.00356 0.01531 0.01117
|
|
7 6PY 0.01576 -0.02344 0.02782 -0.00058 -0.01065
|
|
8 6PZ -0.00516 -0.01943 -0.01253 -0.01361 -0.02155
|
|
9 7PX 0.06135 0.07276 -0.14077 0.20225 0.20325
|
|
10 7PY 0.27058 -0.11682 -0.10876 0.02205 0.12326
|
|
11 7PZ -0.05513 -0.09280 0.02134 -0.30420 -0.04484
|
|
12 8PX 2.26016 -1.44935 0.09484 1.97860 -1.53026
|
|
13 8PY -1.90821 -0.83428 1.48725 -1.59983 -2.11319
|
|
14 8PZ 1.07293 -1.93127 -1.32264 0.92395 -2.35971
|
|
15 9PX 0.92271 -0.67084 0.09925 0.58350 -0.75256
|
|
16 9PY -0.59407 -0.22165 0.12333 -0.49361 -0.74019
|
|
17 9PZ 0.64286 -0.59127 -0.54029 0.13115 -1.11424
|
|
18 10D 0 -0.00620 0.01681 0.00329 0.00395 0.01580
|
|
19 10D+1 0.02154 0.01407 0.00171 0.01682 0.00846
|
|
20 10D-1 -0.00581 0.02034 0.01684 0.00091 0.00849
|
|
21 10D+2 0.03283 -0.00257 -0.01015 0.01392 0.00954
|
|
22 10D-2 -0.00650 0.00153 0.00498 -0.00633 -0.00460
|
|
23 11D 0 0.03852 0.05022 0.02370 -0.02962 0.06194
|
|
24 11D+1 -0.10717 0.05273 -0.03841 0.05587 0.04739
|
|
25 11D-1 0.08877 -0.16706 -0.02899 -0.00856 -0.00731
|
|
26 11D+2 -0.05768 0.01243 0.13591 -0.09175 -0.06828
|
|
27 11D-2 -0.06391 -0.01781 -0.04822 -0.21036 -0.03174
|
|
28 12D 0 0.37355 -0.83821 -0.18878 0.43720 -0.77651
|
|
29 12D+1 -0.46896 -1.03133 0.32656 -0.89234 -0.35673
|
|
30 12D-1 -0.52482 -0.56448 0.35744 0.24582 -1.03357
|
|
31 12D+2 -1.01718 0.33066 -0.26123 -0.27824 0.28200
|
|
32 12D-2 0.67427 -0.71923 -0.17522 2.32130 0.33603
|
|
33 13F 0 0.01411 0.03440 0.02897 0.00961 0.01687
|
|
34 13F+1 0.03681 0.00123 0.03880 -0.01043 0.01287
|
|
35 13F-1 -0.00619 0.01002 0.03294 -0.02799 -0.02108
|
|
36 13F+2 -0.00501 -0.01511 -0.01262 -0.00822 0.00227
|
|
37 13F-2 -0.02062 0.00744 0.00395 -0.00135 -0.00154
|
|
38 13F+3 -0.01139 -0.00536 -0.01701 -0.01132 0.00843
|
|
39 13F-3 -0.00482 0.00726 0.03111 -0.00105 -0.00533
|
|
40 14F 0 -0.24800 -0.50214 -0.40170 -0.39479 -0.26858
|
|
41 14F+1 -0.53101 -0.13725 -0.49085 -0.00985 -0.44699
|
|
42 14F-1 0.13743 -0.32165 -0.45684 0.21104 0.18832
|
|
43 14F+2 0.20318 0.16872 0.03397 0.35572 -0.16568
|
|
44 14F-2 0.19553 -0.21634 0.06187 -0.19931 -0.13193
|
|
45 14F+3 0.23375 0.01939 0.20983 0.25640 -0.15068
|
|
46 14F-3 -0.06736 -0.05449 -0.31746 -0.23975 -0.02774
|
|
47 15G 0 -0.00442 0.00649 -0.05662 0.00628 -0.00921
|
|
48 15G+1 0.01083 -0.00943 -0.02257 0.03706 -0.04690
|
|
49 15G-1 -0.00728 -0.02777 -0.00370 -0.02155 -0.00161
|
|
50 15G+2 0.02567 0.00068 0.00032 0.01071 -0.00109
|
|
51 15G-2 -0.00132 -0.02018 0.00314 -0.00979 -0.04395
|
|
52 15G+3 -0.00984 0.00256 -0.01139 -0.01550 0.02803
|
|
53 15G-3 0.01381 -0.00573 -0.01172 0.03298 -0.00324
|
|
54 15G+4 -0.00013 0.01502 -0.04268 0.00726 0.03806
|
|
55 15G-4 0.02761 0.00063 -0.00464 0.00403 0.01600
|
|
56 2 N 1S -0.01230 0.01412 -0.05427 -0.01844 0.00254
|
|
57 2S 0.03175 -0.03196 0.15500 0.10024 -0.01011
|
|
58 3S -0.14525 0.14958 0.51125 1.16357 -0.30521
|
|
59 4S 1.70523 -1.79996 -0.08265 -5.01906 2.13780
|
|
60 5S 0.86636 -0.85215 1.01249 -3.22701 1.10885
|
|
61 6PX 0.00761 0.00414 0.00356 -0.01531 0.01117
|
|
62 6PY 0.01576 0.02344 0.02782 0.00058 -0.01065
|
|
63 6PZ 0.00516 -0.01943 0.01253 -0.01361 0.02155
|
|
64 7PX 0.06135 -0.07276 -0.14077 -0.20225 0.20325
|
|
65 7PY 0.27058 0.11682 -0.10876 -0.02205 0.12326
|
|
66 7PZ 0.05513 -0.09280 -0.02134 -0.30420 0.04484
|
|
67 8PX 2.26016 1.44935 0.09484 -1.97860 -1.53026
|
|
68 8PY -1.90821 0.83428 1.48725 1.59983 -2.11319
|
|
69 8PZ -1.07293 -1.93127 1.32264 0.92395 2.35971
|
|
70 9PX 0.92271 0.67084 0.09925 -0.58350 -0.75256
|
|
71 9PY -0.59407 0.22165 0.12333 0.49361 -0.74019
|
|
72 9PZ -0.64286 -0.59127 0.54029 0.13115 1.11424
|
|
73 10D 0 0.00620 0.01681 -0.00329 0.00395 -0.01580
|
|
74 10D+1 0.02154 -0.01407 0.00171 -0.01682 0.00846
|
|
75 10D-1 -0.00581 -0.02034 0.01684 -0.00091 0.00849
|
|
76 10D+2 -0.03283 -0.00257 0.01015 0.01392 -0.00954
|
|
77 10D-2 0.00650 0.00153 -0.00498 -0.00633 0.00460
|
|
78 11D 0 -0.03852 0.05022 -0.02370 -0.02962 -0.06194
|
|
79 11D+1 -0.10717 -0.05273 -0.03841 -0.05587 0.04739
|
|
80 11D-1 0.08877 0.16706 -0.02899 0.00856 -0.00731
|
|
81 11D+2 0.05768 0.01243 -0.13591 -0.09175 0.06828
|
|
82 11D-2 0.06391 -0.01781 0.04822 -0.21036 0.03174
|
|
83 12D 0 -0.37355 -0.83821 0.18878 0.43720 0.77651
|
|
84 12D+1 -0.46896 1.03133 0.32656 0.89234 -0.35673
|
|
85 12D-1 -0.52482 0.56448 0.35744 -0.24582 -1.03357
|
|
86 12D+2 1.01718 0.33066 0.26123 -0.27824 -0.28200
|
|
87 12D-2 -0.67427 -0.71923 0.17522 2.32130 -0.33603
|
|
88 13F 0 -0.01411 0.03440 -0.02897 0.00961 -0.01687
|
|
89 13F+1 0.03681 -0.00123 0.03880 0.01043 0.01287
|
|
90 13F-1 -0.00619 -0.01002 0.03294 0.02799 -0.02108
|
|
91 13F+2 0.00501 -0.01511 0.01262 -0.00822 -0.00227
|
|
92 13F-2 0.02062 0.00744 -0.00395 -0.00135 0.00154
|
|
93 13F+3 -0.01139 0.00536 -0.01701 0.01132 0.00843
|
|
94 13F-3 -0.00482 -0.00726 0.03111 0.00105 -0.00533
|
|
95 14F 0 0.24800 -0.50214 0.40170 -0.39479 0.26858
|
|
96 14F+1 -0.53101 0.13725 -0.49085 0.00985 -0.44699
|
|
97 14F-1 0.13743 0.32165 -0.45684 -0.21104 0.18832
|
|
98 14F+2 -0.20318 0.16872 -0.03397 0.35572 0.16568
|
|
99 14F-2 -0.19553 -0.21634 -0.06187 -0.19931 0.13193
|
|
100 14F+3 0.23375 -0.01939 0.20983 -0.25640 -0.15068
|
|
101 14F-3 -0.06736 0.05449 -0.31746 0.23975 -0.02774
|
|
102 15G 0 0.00442 0.00649 0.05662 0.00628 0.00921
|
|
103 15G+1 0.01083 0.00943 -0.02257 -0.03706 -0.04690
|
|
104 15G-1 -0.00728 0.02777 -0.00370 0.02155 -0.00161
|
|
105 15G+2 -0.02567 0.00068 -0.00032 0.01071 0.00109
|
|
106 15G-2 0.00132 -0.02018 -0.00314 -0.00979 0.04395
|
|
107 15G+3 -0.00984 -0.00256 -0.01139 0.01550 0.02803
|
|
108 15G-3 0.01381 0.00573 -0.01172 -0.03298 -0.00324
|
|
109 15G+4 0.00013 0.01502 0.04268 0.00726 -0.03806
|
|
110 15G-4 -0.02761 0.00063 0.00464 0.00403 -0.01600
|
|
111 3 H 1S -0.00412 -0.03388 -0.02531 -0.00562 -0.02266
|
|
112 2S 0.12519 1.27633 0.67448 -0.05520 0.81994
|
|
113 3S -0.35452 3.12762 0.35433 1.14778 4.29207
|
|
114 4S -0.09130 0.18558 0.19359 0.02724 0.41300
|
|
115 5PX -0.00774 -0.00863 -0.01095 0.01066 0.00126
|
|
116 5PY -0.03341 0.01302 0.05959 0.02213 0.01076
|
|
117 5PZ -0.00696 0.04272 -0.04110 0.02635 0.05956
|
|
118 6PX 0.07454 -0.05986 -0.02169 -0.15250 -0.01103
|
|
119 6PY 0.16702 -0.30959 -0.68212 -0.25238 -0.27401
|
|
120 6PZ -0.09718 -0.86004 -0.07598 -0.28425 -0.82257
|
|
121 7PX -0.13903 0.23524 -0.31858 -0.31585 0.19441
|
|
122 7PY 0.17585 -0.38593 -0.21434 0.00561 -0.79088
|
|
123 7PZ 0.13957 -1.36671 0.00170 -0.44430 -1.67397
|
|
124 8D 0 0.00722 -0.04815 0.00636 -0.00140 -0.02705
|
|
125 8D+1 -0.03345 0.03740 -0.00897 -0.03735 0.02080
|
|
126 8D-1 0.03029 0.01744 -0.01795 0.02269 0.01456
|
|
127 8D+2 -0.00244 0.00606 -0.00642 -0.00579 0.03398
|
|
128 8D-2 0.03362 -0.00119 -0.01164 0.01023 0.01289
|
|
129 9D 0 -0.08340 0.90643 -0.09176 0.20519 0.64392
|
|
130 9D+1 0.26978 -0.18414 0.17873 0.59902 -0.31249
|
|
131 9D-1 -0.22305 0.18880 0.53886 -0.04256 0.39541
|
|
132 9D+2 -0.04549 -0.13827 -0.01822 0.03345 -0.57013
|
|
133 9D-2 -0.37723 0.12378 0.21959 -0.01558 -0.16140
|
|
134 10F 0 0.00195 0.00215 0.04501 -0.02549 0.00826
|
|
135 10F+1 0.00027 0.00189 0.01408 -0.02531 0.03189
|
|
136 10F-1 -0.00357 -0.00236 0.00715 -0.01868 -0.03535
|
|
137 10F+2 0.00869 0.01480 0.01499 0.01984 0.01752
|
|
138 10F-2 0.01318 0.00499 -0.00820 -0.01911 0.01978
|
|
139 10F+3 0.02254 0.00050 -0.00054 -0.00245 0.00057
|
|
140 10F-3 -0.00567 -0.00319 -0.00983 -0.00239 0.01630
|
|
141 4 H 1S -0.02844 -0.00391 -0.02103 -0.04623 -0.00108
|
|
142 2S 1.20371 0.00505 0.40339 1.00923 -0.01593
|
|
143 3S 3.55907 -1.52079 -0.68290 5.49583 -0.89985
|
|
144 4S 0.34941 -0.03139 0.08983 0.35795 -0.11948
|
|
145 5PX -0.04595 0.02595 0.06266 -0.06000 0.00192
|
|
146 5PY 0.00353 0.00514 0.01758 -0.04812 -0.03642
|
|
147 5PZ -0.02605 0.05150 -0.00039 0.02698 -0.01366
|
|
148 6PX 0.91627 -0.10709 -0.22266 1.02024 0.02418
|
|
149 6PY -0.22074 -0.09768 -0.24298 0.28261 0.33598
|
|
150 6PZ 0.33367 -0.46555 0.09098 -0.18596 0.14910
|
|
151 7PX 1.32532 -0.42260 -0.54892 2.63095 -0.05417
|
|
152 7PY -0.46784 0.33787 -0.23886 -0.48763 0.89760
|
|
153 7PZ -0.02761 -0.15568 0.37104 0.04464 0.48759
|
|
154 8D 0 0.02928 -0.02098 -0.00193 0.03268 -0.01313
|
|
155 8D+1 0.02740 -0.04373 -0.01562 0.00420 -0.05593
|
|
156 8D-1 -0.03086 -0.01000 0.02903 0.00271 -0.01526
|
|
157 8D+2 -0.00151 -0.00618 0.01517 0.00281 -0.01140
|
|
158 8D-2 -0.00153 -0.01733 0.00989 -0.01175 -0.03308
|
|
159 9D 0 -0.56698 0.12037 0.13772 -0.84405 0.21171
|
|
160 9D+1 0.01417 0.13181 0.28232 -0.12485 0.81454
|
|
161 9D-1 0.20460 0.19914 -0.39439 0.07385 0.16008
|
|
162 9D+2 0.38376 0.09535 -0.41536 0.63577 0.33864
|
|
163 9D-2 -0.36738 0.17398 -0.23222 -0.15957 0.65930
|
|
164 10F 0 -0.01546 0.00293 0.00668 0.01997 -0.02363
|
|
165 10F+1 -0.00258 -0.02601 0.03224 -0.03013 -0.00856
|
|
166 10F-1 0.00036 -0.00904 -0.02097 0.00740 -0.01551
|
|
167 10F+2 0.00737 -0.03606 -0.00283 -0.02037 0.02396
|
|
168 10F-2 0.00553 0.01107 -0.00798 0.03358 -0.00193
|
|
169 10F+3 -0.00374 0.00931 -0.05604 0.03140 0.03252
|
|
170 10F-3 -0.01151 0.00350 0.00283 -0.02578 0.03055
|
|
171 5 H 1S 0.00412 -0.03388 0.02531 -0.00562 0.02266
|
|
172 2S -0.12519 1.27633 -0.67448 -0.05520 -0.81994
|
|
173 3S 0.35452 3.12762 -0.35433 1.14778 -4.29207
|
|
174 4S 0.09130 0.18558 -0.19359 0.02724 -0.41300
|
|
175 5PX -0.00774 0.00863 -0.01095 -0.01066 0.00126
|
|
176 5PY -0.03341 -0.01302 0.05959 -0.02213 0.01076
|
|
177 5PZ 0.00696 0.04272 0.04110 0.02635 -0.05956
|
|
178 6PX 0.07454 0.05986 -0.02169 0.15250 -0.01103
|
|
179 6PY 0.16702 0.30959 -0.68212 0.25238 -0.27401
|
|
180 6PZ 0.09718 -0.86004 0.07598 -0.28425 0.82257
|
|
181 7PX -0.13903 -0.23524 -0.31858 0.31585 0.19441
|
|
182 7PY 0.17585 0.38593 -0.21434 -0.00561 -0.79088
|
|
183 7PZ -0.13957 -1.36671 -0.00170 -0.44430 1.67397
|
|
184 8D 0 -0.00722 -0.04815 -0.00636 -0.00140 0.02705
|
|
185 8D+1 -0.03345 -0.03740 -0.00897 0.03735 0.02080
|
|
186 8D-1 0.03029 -0.01744 -0.01795 -0.02269 0.01456
|
|
187 8D+2 0.00244 0.00606 0.00642 -0.00579 -0.03398
|
|
188 8D-2 -0.03362 -0.00119 0.01164 0.01023 -0.01289
|
|
189 9D 0 0.08340 0.90643 0.09176 0.20519 -0.64392
|
|
190 9D+1 0.26978 0.18414 0.17873 -0.59902 -0.31249
|
|
191 9D-1 -0.22305 -0.18880 0.53886 0.04256 0.39541
|
|
192 9D+2 0.04549 -0.13827 0.01822 0.03345 0.57013
|
|
193 9D-2 0.37723 0.12378 -0.21959 -0.01558 0.16140
|
|
194 10F 0 -0.00195 0.00215 -0.04501 -0.02549 -0.00826
|
|
195 10F+1 0.00027 -0.00189 0.01408 0.02531 0.03189
|
|
196 10F-1 -0.00357 0.00236 0.00715 0.01868 -0.03535
|
|
197 10F+2 -0.00869 0.01480 -0.01499 0.01984 -0.01752
|
|
198 10F-2 -0.01318 0.00499 0.00820 -0.01911 -0.01978
|
|
199 10F+3 0.02254 -0.00050 -0.00054 0.00245 0.00057
|
|
200 10F-3 -0.00567 0.00319 -0.00983 0.00239 0.01630
|
|
201 6 H 1S 0.02844 -0.00391 0.02103 -0.04623 0.00108
|
|
202 2S -1.20371 0.00505 -0.40339 1.00923 0.01593
|
|
203 3S -3.55907 -1.52079 0.68290 5.49583 0.89985
|
|
204 4S -0.34941 -0.03139 -0.08983 0.35795 0.11948
|
|
205 5PX -0.04595 -0.02595 0.06266 0.06000 0.00192
|
|
206 5PY 0.00353 -0.00514 0.01758 0.04812 -0.03642
|
|
207 5PZ 0.02605 0.05150 0.00039 0.02698 0.01366
|
|
208 6PX 0.91627 0.10709 -0.22266 -1.02024 0.02418
|
|
209 6PY -0.22074 0.09768 -0.24298 -0.28261 0.33598
|
|
210 6PZ -0.33367 -0.46555 -0.09098 -0.18596 -0.14910
|
|
211 7PX 1.32532 0.42260 -0.54892 -2.63095 -0.05417
|
|
212 7PY -0.46784 -0.33787 -0.23886 0.48763 0.89760
|
|
213 7PZ 0.02761 -0.15568 -0.37104 0.04464 -0.48759
|
|
214 8D 0 -0.02928 -0.02098 0.00193 0.03268 0.01313
|
|
215 8D+1 0.02740 0.04373 -0.01562 -0.00420 -0.05593
|
|
216 8D-1 -0.03086 0.01000 0.02903 -0.00271 -0.01526
|
|
217 8D+2 0.00151 -0.00618 -0.01517 0.00281 0.01140
|
|
218 8D-2 0.00153 -0.01733 -0.00989 -0.01175 0.03308
|
|
219 9D 0 0.56698 0.12037 -0.13772 -0.84405 -0.21171
|
|
220 9D+1 0.01417 -0.13181 0.28232 0.12485 0.81454
|
|
221 9D-1 0.20460 -0.19914 -0.39439 -0.07385 0.16008
|
|
222 9D+2 -0.38376 0.09535 0.41536 0.63577 -0.33864
|
|
223 9D-2 0.36738 0.17398 0.23222 -0.15957 -0.65930
|
|
224 10F 0 0.01546 0.00293 -0.00668 0.01997 0.02363
|
|
225 10F+1 -0.00258 0.02601 0.03224 0.03013 -0.00856
|
|
226 10F-1 0.00036 0.00904 -0.02097 -0.00740 -0.01551
|
|
227 10F+2 -0.00737 -0.03606 0.00283 -0.02037 -0.02396
|
|
228 10F-2 -0.00553 0.01107 0.00798 0.03358 0.00193
|
|
229 10F+3 -0.00374 -0.00931 -0.05604 -0.03140 0.03252
|
|
230 10F-3 -0.01151 -0.00350 0.00283 0.02578 0.03055
|
|
91 92 93 94 95
|
|
V V V V V
|
|
Eigenvalues -- 3.34050 3.36496 3.58144 3.64654 3.71389
|
|
1 1 N 1S -0.00952 -0.02342 0.00499 -0.00110 -0.01109
|
|
2 2S 0.07843 0.10016 -0.05486 -0.04187 -0.00962
|
|
3 3S 0.79291 0.67329 -0.94900 -0.75120 -0.54875
|
|
4 4S -2.31344 -1.23447 4.36712 2.58322 2.25484
|
|
5 5S -2.65084 -1.00053 1.68673 3.97563 1.09076
|
|
6 6PX -0.02518 -0.03160 0.00150 -0.02655 0.01178
|
|
7 6PY 0.02470 0.03370 -0.02604 -0.02765 -0.05544
|
|
8 6PZ -0.00519 -0.00548 0.01490 -0.03694 -0.00229
|
|
9 7PX 0.03672 -0.11079 0.10759 -0.36137 0.26576
|
|
10 7PY -0.09667 0.24822 -0.19747 -0.14915 -0.16928
|
|
11 7PZ -0.17710 0.01784 0.04027 -0.50577 -0.15345
|
|
12 8PX -1.53806 -0.30796 -1.38244 -0.37880 -2.18186
|
|
13 8PY 1.50008 -0.27188 1.33030 0.21226 0.04805
|
|
14 8PZ -0.64235 -0.77276 1.37096 1.46994 1.02884
|
|
15 9PX -0.53745 -0.06519 -0.53082 -0.33029 -0.21095
|
|
16 9PY 0.65858 -0.13263 0.87050 -0.23690 -0.08283
|
|
17 9PZ -0.57459 -0.44685 0.36694 0.46723 0.32671
|
|
18 10D 0 0.00062 0.00101 0.00586 0.00970 -0.00217
|
|
19 10D+1 0.00911 -0.00206 -0.00883 -0.00618 -0.00060
|
|
20 10D-1 0.00427 0.00122 -0.00815 0.00133 -0.00870
|
|
21 10D+2 -0.02695 -0.00918 0.00362 0.00599 -0.01548
|
|
22 10D-2 0.02199 0.00458 0.00362 0.00751 0.01407
|
|
23 11D 0 -0.05679 0.16997 -0.11919 0.02202 0.08666
|
|
24 11D+1 -0.04210 -0.10089 0.22314 0.14123 -0.34915
|
|
25 11D-1 0.07543 -0.16292 -0.14099 -0.38426 0.16368
|
|
26 11D+2 -0.10722 0.01335 -0.12171 0.07423 0.37557
|
|
27 11D-2 -0.36567 -0.29363 0.08921 0.10948 -0.17410
|
|
28 12D 0 -0.16026 -0.57834 0.14548 0.21431 0.40324
|
|
29 12D+1 -0.31052 0.40262 -0.61943 -0.13461 -0.03123
|
|
30 12D-1 -1.48533 0.40128 1.11082 0.98440 -0.00310
|
|
31 12D+2 1.57495 -0.22248 0.75784 -0.22044 0.58383
|
|
32 12D-2 -0.37469 1.27247 -0.20187 -0.58027 0.92023
|
|
33 13F 0 -0.00047 0.00149 0.01998 0.00347 -0.01916
|
|
34 13F+1 -0.01535 -0.03968 0.03550 0.00356 -0.00569
|
|
35 13F-1 0.01686 -0.03456 0.00319 -0.02747 -0.00054
|
|
36 13F+2 -0.00213 0.01537 -0.02741 -0.04659 0.00546
|
|
37 13F-2 -0.02330 -0.00281 0.00506 0.00465 -0.03235
|
|
38 13F+3 0.01931 0.00039 0.00508 -0.00377 -0.00915
|
|
39 13F-3 0.01628 0.00232 0.02247 -0.01971 0.02265
|
|
40 14F 0 -0.07182 -0.11965 -0.07949 0.00124 0.49182
|
|
41 14F+1 0.16517 0.37409 -0.30457 0.20351 0.14440
|
|
42 14F-1 -0.47590 0.36241 0.30946 0.38065 0.05475
|
|
43 14F+2 0.07728 -0.26673 0.23586 0.73753 -0.13964
|
|
44 14F-2 0.24669 0.00925 0.02726 0.02164 0.49035
|
|
45 14F+3 -0.34210 -0.08913 -0.25893 -0.05850 -0.10188
|
|
46 14F-3 -0.27302 -0.19170 -0.11833 0.59374 -0.29476
|
|
47 15G 0 0.00360 -0.03124 -0.00664 0.03905 0.03264
|
|
48 15G+1 0.00315 -0.01916 -0.01822 0.04700 -0.01838
|
|
49 15G-1 -0.01082 -0.00670 0.03799 -0.00558 0.02240
|
|
50 15G+2 -0.01861 -0.01325 -0.04088 0.00829 -0.00833
|
|
51 15G-2 -0.00054 -0.00844 0.00525 0.03461 -0.00202
|
|
52 15G+3 -0.00405 0.00706 -0.00114 -0.02928 0.00255
|
|
53 15G-3 0.00649 -0.00507 -0.00162 0.00604 -0.01507
|
|
54 15G+4 -0.01352 0.02609 0.02127 -0.00649 0.03252
|
|
55 15G-4 -0.01413 -0.00388 -0.00042 -0.03262 -0.01268
|
|
56 2 N 1S 0.00952 -0.02342 0.00499 0.00110 -0.01109
|
|
57 2S -0.07843 0.10016 -0.05486 0.04187 -0.00962
|
|
58 3S -0.79291 0.67329 -0.94900 0.75120 -0.54875
|
|
59 4S 2.31344 -1.23447 4.36712 -2.58322 2.25484
|
|
60 5S 2.65084 -1.00053 1.68673 -3.97563 1.09076
|
|
61 6PX -0.02518 0.03160 -0.00150 -0.02655 -0.01178
|
|
62 6PY 0.02470 -0.03370 0.02604 -0.02765 0.05544
|
|
63 6PZ 0.00519 -0.00548 0.01490 0.03694 -0.00229
|
|
64 7PX 0.03672 0.11079 -0.10759 -0.36137 -0.26576
|
|
65 7PY -0.09667 -0.24822 0.19747 -0.14915 0.16928
|
|
66 7PZ 0.17710 0.01784 0.04027 0.50577 -0.15345
|
|
67 8PX -1.53806 0.30796 1.38244 -0.37880 2.18186
|
|
68 8PY 1.50008 0.27188 -1.33030 0.21226 -0.04805
|
|
69 8PZ 0.64235 -0.77276 1.37096 -1.46994 1.02884
|
|
70 9PX -0.53745 0.06519 0.53082 -0.33029 0.21095
|
|
71 9PY 0.65858 0.13263 -0.87050 -0.23690 0.08283
|
|
72 9PZ 0.57459 -0.44685 0.36694 -0.46723 0.32671
|
|
73 10D 0 -0.00062 0.00101 0.00586 -0.00970 -0.00217
|
|
74 10D+1 0.00911 0.00206 0.00883 -0.00618 0.00060
|
|
75 10D-1 0.00427 -0.00122 0.00815 0.00133 0.00870
|
|
76 10D+2 0.02695 -0.00918 0.00362 -0.00599 -0.01548
|
|
77 10D-2 -0.02199 0.00458 0.00362 -0.00751 0.01407
|
|
78 11D 0 0.05679 0.16997 -0.11919 -0.02202 0.08666
|
|
79 11D+1 -0.04210 0.10089 -0.22314 0.14123 0.34915
|
|
80 11D-1 0.07543 0.16292 0.14099 -0.38426 -0.16368
|
|
81 11D+2 0.10722 0.01335 -0.12171 -0.07423 0.37557
|
|
82 11D-2 0.36567 -0.29363 0.08921 -0.10948 -0.17410
|
|
83 12D 0 0.16026 -0.57834 0.14548 -0.21431 0.40324
|
|
84 12D+1 -0.31052 -0.40262 0.61943 -0.13461 0.03123
|
|
85 12D-1 -1.48533 -0.40128 -1.11082 0.98440 0.00310
|
|
86 12D+2 -1.57495 -0.22248 0.75784 0.22044 0.58383
|
|
87 12D-2 0.37469 1.27247 -0.20187 0.58027 0.92023
|
|
88 13F 0 0.00047 0.00149 0.01998 -0.00347 -0.01916
|
|
89 13F+1 -0.01535 0.03968 -0.03550 0.00356 0.00569
|
|
90 13F-1 0.01686 0.03456 -0.00319 -0.02747 0.00054
|
|
91 13F+2 0.00213 0.01537 -0.02741 0.04659 0.00546
|
|
92 13F-2 0.02330 -0.00281 0.00506 -0.00465 -0.03235
|
|
93 13F+3 0.01931 -0.00039 -0.00508 -0.00377 0.00915
|
|
94 13F-3 0.01628 -0.00232 -0.02247 -0.01971 -0.02265
|
|
95 14F 0 0.07182 -0.11965 -0.07949 -0.00124 0.49182
|
|
96 14F+1 0.16517 -0.37409 0.30457 0.20351 -0.14440
|
|
97 14F-1 -0.47590 -0.36241 -0.30946 0.38065 -0.05475
|
|
98 14F+2 -0.07728 -0.26673 0.23586 -0.73753 -0.13964
|
|
99 14F-2 -0.24669 0.00925 0.02726 -0.02164 0.49035
|
|
100 14F+3 -0.34210 0.08913 0.25893 -0.05850 0.10188
|
|
101 14F-3 -0.27302 0.19170 0.11833 0.59374 0.29476
|
|
102 15G 0 -0.00360 -0.03124 -0.00664 -0.03905 0.03264
|
|
103 15G+1 0.00315 0.01916 0.01822 0.04700 0.01838
|
|
104 15G-1 -0.01082 0.00670 -0.03799 -0.00558 -0.02240
|
|
105 15G+2 0.01861 -0.01325 -0.04088 -0.00829 -0.00833
|
|
106 15G-2 0.00054 -0.00844 0.00525 -0.03461 -0.00202
|
|
107 15G+3 -0.00405 -0.00706 0.00114 -0.02928 -0.00255
|
|
108 15G-3 0.00649 0.00507 0.00162 0.00604 0.01507
|
|
109 15G+4 0.01352 0.02609 0.02127 0.00649 0.03252
|
|
110 15G-4 0.01413 -0.00388 -0.00042 0.03262 -0.01268
|
|
111 3 H 1S -0.01310 0.02123 0.00970 0.03170 0.03012
|
|
112 2S 0.34917 -0.11126 -0.39762 -0.83723 -0.60871
|
|
113 3S 3.07237 1.16599 -2.66406 -1.65944 -1.19148
|
|
114 4S 0.08140 -0.09680 -0.19589 -0.09052 -0.12764
|
|
115 5PX 0.02107 0.03457 -0.04319 0.01908 -0.03598
|
|
116 5PY -0.01028 0.04540 0.00402 -0.00564 -0.00595
|
|
117 5PZ 0.03322 0.03775 -0.05660 0.02169 0.02858
|
|
118 6PX -0.27813 -0.30540 0.43177 -0.15011 0.43371
|
|
119 6PY 0.06617 -0.47047 -0.17025 0.28708 0.24329
|
|
120 6PZ -0.46070 -0.20103 0.64398 0.18420 0.09254
|
|
121 7PX -0.08154 0.06877 0.84727 0.03863 0.27519
|
|
122 7PY -0.12394 -0.58267 -0.18362 0.27881 0.46401
|
|
123 7PZ -1.29263 0.16620 1.23080 0.21327 0.25869
|
|
124 8D 0 -0.01311 0.01469 0.01611 -0.06068 -0.03779
|
|
125 8D+1 0.02398 0.04284 0.00271 -0.03562 0.01268
|
|
126 8D-1 -0.00562 0.00739 -0.00306 -0.01442 -0.01764
|
|
127 8D+2 0.00614 0.01219 0.05550 0.00745 0.00733
|
|
128 8D-2 0.02655 0.00363 0.00286 0.00084 0.03943
|
|
129 9D 0 0.41994 -0.26451 -0.59007 0.44846 0.28748
|
|
130 9D+1 0.05384 -0.29810 -0.45857 0.53006 -0.33842
|
|
131 9D-1 0.13837 0.27269 0.02259 -0.23687 -0.08724
|
|
132 9D+2 -0.03919 -0.23579 -0.71336 0.09673 0.00404
|
|
133 9D-2 -0.24313 0.05996 -0.12606 0.03868 -0.52366
|
|
134 10F 0 -0.01255 0.01613 0.02358 -0.00877 -0.01600
|
|
135 10F+1 -0.02916 -0.01444 0.04362 -0.02940 0.01383
|
|
136 10F-1 -0.01614 -0.04431 -0.01711 0.03519 -0.00017
|
|
137 10F+2 -0.00785 0.00927 0.02859 0.00595 -0.00632
|
|
138 10F-2 -0.00699 -0.03200 0.01377 -0.02454 0.00962
|
|
139 10F+3 -0.00241 -0.00745 -0.00661 0.01312 -0.00351
|
|
140 10F-3 -0.01950 -0.00102 -0.01678 0.00141 -0.01536
|
|
141 4 H 1S -0.00154 -0.01325 -0.02525 0.00032 0.00216
|
|
142 2S -0.71537 -0.25909 -0.44871 0.08741 -0.75783
|
|
143 3S -1.54787 1.03622 -1.94554 -2.37372 -1.08467
|
|
144 4S -0.11126 0.11968 0.10437 -0.15465 0.06106
|
|
145 5PX 0.02289 0.01012 0.06791 0.04395 0.02126
|
|
146 5PY -0.00771 -0.05636 -0.03637 0.01096 -0.05325
|
|
147 5PZ 0.02459 -0.00088 0.05523 0.05429 0.01331
|
|
148 6PX -0.39269 -0.13808 -0.62610 -0.46030 -0.52559
|
|
149 6PY 0.10931 0.57709 0.45923 -0.20659 0.65236
|
|
150 6PZ -0.30541 0.00539 -0.48748 -0.60183 -0.14307
|
|
151 7PX -0.53916 0.50881 -0.33648 -1.01487 -0.10023
|
|
152 7PY -0.02052 0.08257 0.15312 -0.11236 0.56401
|
|
153 7PZ -0.26688 0.62423 -0.24071 -0.74963 -0.23425
|
|
154 8D 0 0.00182 -0.03506 0.01479 0.01344 0.03631
|
|
155 8D+1 -0.00241 -0.02023 -0.02091 -0.00527 0.01846
|
|
156 8D-1 -0.02233 0.00728 -0.00641 -0.00423 -0.03839
|
|
157 8D+2 0.03777 0.01764 -0.01513 0.03389 -0.05210
|
|
158 8D-2 0.04096 0.00577 0.00845 -0.02177 0.01023
|
|
159 9D 0 -0.03949 0.38686 -0.02131 -0.18914 -0.04302
|
|
160 9D+1 -0.21613 0.28686 -0.00247 -0.63164 -0.17510
|
|
161 9D-1 0.36018 -0.05939 0.11427 0.11739 0.43515
|
|
162 9D+2 -0.47567 -0.01192 -0.00749 -0.69396 0.24563
|
|
163 9D-2 -0.32022 0.24202 0.28891 0.00158 0.38533
|
|
164 10F 0 0.00995 -0.00581 0.02496 0.04877 0.00221
|
|
165 10F+1 -0.01725 0.00069 -0.01502 -0.01140 0.03086
|
|
166 10F-1 -0.00247 -0.00629 -0.01368 0.03248 -0.03465
|
|
167 10F+2 -0.00857 0.01654 -0.01091 -0.06675 0.00984
|
|
168 10F-2 0.01740 0.00198 0.00603 0.02340 0.00312
|
|
169 10F+3 0.02109 0.04481 -0.01465 -0.03456 -0.00252
|
|
170 10F-3 -0.00980 0.01425 0.04592 -0.02615 0.02271
|
|
171 5 H 1S 0.01310 0.02123 0.00970 -0.03170 0.03012
|
|
172 2S -0.34917 -0.11126 -0.39762 0.83723 -0.60871
|
|
173 3S -3.07237 1.16599 -2.66406 1.65944 -1.19148
|
|
174 4S -0.08140 -0.09680 -0.19589 0.09052 -0.12764
|
|
175 5PX 0.02107 -0.03457 0.04319 0.01908 0.03598
|
|
176 5PY -0.01028 -0.04540 -0.00402 -0.00564 0.00595
|
|
177 5PZ -0.03322 0.03775 -0.05660 -0.02169 0.02858
|
|
178 6PX -0.27813 0.30540 -0.43177 -0.15011 -0.43371
|
|
179 6PY 0.06617 0.47047 0.17025 0.28708 -0.24329
|
|
180 6PZ 0.46070 -0.20103 0.64398 -0.18420 0.09254
|
|
181 7PX -0.08154 -0.06877 -0.84727 0.03863 -0.27519
|
|
182 7PY -0.12394 0.58267 0.18362 0.27881 -0.46401
|
|
183 7PZ 1.29263 0.16620 1.23080 -0.21327 0.25869
|
|
184 8D 0 0.01311 0.01469 0.01611 0.06068 -0.03779
|
|
185 8D+1 0.02398 -0.04284 -0.00271 -0.03562 -0.01268
|
|
186 8D-1 -0.00562 -0.00739 0.00306 -0.01442 0.01764
|
|
187 8D+2 -0.00614 0.01219 0.05550 -0.00745 0.00733
|
|
188 8D-2 -0.02655 0.00363 0.00286 -0.00084 0.03943
|
|
189 9D 0 -0.41994 -0.26451 -0.59007 -0.44846 0.28748
|
|
190 9D+1 0.05384 0.29810 0.45857 0.53006 0.33842
|
|
191 9D-1 0.13837 -0.27269 -0.02259 -0.23687 0.08724
|
|
192 9D+2 0.03919 -0.23579 -0.71336 -0.09673 0.00404
|
|
193 9D-2 0.24313 0.05996 -0.12606 -0.03868 -0.52366
|
|
194 10F 0 0.01255 0.01613 0.02358 0.00877 -0.01600
|
|
195 10F+1 -0.02916 0.01444 -0.04362 -0.02940 -0.01383
|
|
196 10F-1 -0.01614 0.04431 0.01711 0.03519 0.00017
|
|
197 10F+2 0.00785 0.00927 0.02859 -0.00595 -0.00632
|
|
198 10F-2 0.00699 -0.03200 0.01377 0.02454 0.00962
|
|
199 10F+3 -0.00241 0.00745 0.00661 0.01312 0.00351
|
|
200 10F-3 -0.01950 0.00102 0.01678 0.00141 0.01536
|
|
201 6 H 1S 0.00154 -0.01325 -0.02525 -0.00032 0.00216
|
|
202 2S 0.71537 -0.25909 -0.44871 -0.08741 -0.75783
|
|
203 3S 1.54787 1.03622 -1.94554 2.37372 -1.08467
|
|
204 4S 0.11126 0.11968 0.10437 0.15465 0.06106
|
|
205 5PX 0.02289 -0.01012 -0.06791 0.04395 -0.02126
|
|
206 5PY -0.00771 0.05636 0.03637 0.01096 0.05325
|
|
207 5PZ -0.02459 -0.00088 0.05523 -0.05429 0.01331
|
|
208 6PX -0.39269 0.13808 0.62610 -0.46030 0.52559
|
|
209 6PY 0.10931 -0.57709 -0.45923 -0.20659 -0.65236
|
|
210 6PZ 0.30541 0.00539 -0.48748 0.60183 -0.14307
|
|
211 7PX -0.53916 -0.50881 0.33648 -1.01487 0.10023
|
|
212 7PY -0.02052 -0.08257 -0.15312 -0.11236 -0.56401
|
|
213 7PZ 0.26688 0.62423 -0.24071 0.74963 -0.23425
|
|
214 8D 0 -0.00182 -0.03506 0.01479 -0.01344 0.03631
|
|
215 8D+1 -0.00241 0.02023 0.02091 -0.00527 -0.01846
|
|
216 8D-1 -0.02233 -0.00728 0.00641 -0.00423 0.03839
|
|
217 8D+2 -0.03777 0.01764 -0.01513 -0.03389 -0.05210
|
|
218 8D-2 -0.04096 0.00577 0.00845 0.02177 0.01023
|
|
219 9D 0 0.03949 0.38686 -0.02131 0.18914 -0.04302
|
|
220 9D+1 -0.21613 -0.28686 0.00247 -0.63164 0.17510
|
|
221 9D-1 0.36018 0.05939 -0.11427 0.11739 -0.43515
|
|
222 9D+2 0.47567 -0.01192 -0.00749 0.69396 0.24563
|
|
223 9D-2 0.32022 0.24202 0.28891 -0.00158 0.38533
|
|
224 10F 0 -0.00995 -0.00581 0.02496 -0.04877 0.00221
|
|
225 10F+1 -0.01725 -0.00069 0.01502 -0.01140 -0.03086
|
|
226 10F-1 -0.00247 0.00629 0.01368 0.03248 0.03465
|
|
227 10F+2 0.00857 0.01654 -0.01091 0.06675 0.00984
|
|
228 10F-2 -0.01740 0.00198 0.00603 -0.02340 0.00312
|
|
229 10F+3 0.02109 -0.04481 0.01465 -0.03456 0.00252
|
|
230 10F-3 -0.00980 -0.01425 -0.04592 -0.02615 -0.02271
|
|
96 97 98 99 100
|
|
V V V V V
|
|
Eigenvalues -- 3.72005 3.87284 3.88477 3.95117 3.96336
|
|
1 1 N 1S 0.00795 -0.00838 -0.02223 -0.02750 -0.01900
|
|
2 2S -0.05513 -0.02544 0.06427 0.08336 0.02605
|
|
3 3S -0.67127 -0.86822 -0.08041 0.00440 -1.04588
|
|
4 4S 2.22850 3.47736 3.09942 2.78212 7.51825
|
|
5 5S 1.90565 0.86615 4.55750 1.45705 6.45601
|
|
6 6PX 0.01806 -0.02075 -0.02233 -0.02534 -0.02365
|
|
7 6PY -0.00432 -0.08014 0.00461 -0.03952 0.03669
|
|
8 6PZ 0.04719 -0.02668 0.03110 0.02692 0.00496
|
|
9 7PX 0.38032 -0.10695 0.14377 -0.35333 -0.42658
|
|
10 7PY -0.03360 -0.54346 0.30528 -0.14464 0.72027
|
|
11 7PZ 0.58513 -0.34186 0.48290 -0.12242 -0.11366
|
|
12 8PX -0.74286 -1.91231 -2.74275 1.57224 -0.89613
|
|
13 8PY 0.51318 1.58745 -0.61561 0.90157 -1.61462
|
|
14 8PZ -0.41751 0.29540 -1.08157 3.20232 3.19755
|
|
15 9PX -0.32519 -0.38948 -0.66150 -0.08648 -0.50735
|
|
16 9PY -0.15786 0.60214 -0.25154 0.30429 -1.21224
|
|
17 9PZ -0.44620 0.19361 0.51322 0.49293 0.97860
|
|
18 10D 0 -0.01606 0.02409 0.00326 -0.01145 -0.01090
|
|
19 10D+1 -0.00793 -0.00650 -0.00731 -0.00258 -0.01190
|
|
20 10D-1 0.00341 -0.01178 0.01120 -0.01689 -0.02869
|
|
21 10D+2 0.00973 0.01770 -0.00660 0.01191 -0.00381
|
|
22 10D-2 0.01423 0.02309 -0.00253 -0.00851 0.01505
|
|
23 11D 0 0.33026 -0.32750 -0.05012 0.26014 0.27311
|
|
24 11D+1 0.06758 0.20861 0.07626 -0.08429 0.02727
|
|
25 11D-1 -0.33543 0.19846 -0.14869 0.34042 0.29914
|
|
26 11D+2 -0.05687 -0.11153 0.05027 -0.17626 0.19214
|
|
27 11D-2 -0.37065 -0.30108 0.16993 -0.12326 -0.31170
|
|
28 12D 0 -1.09880 0.63364 -0.13241 0.51785 -0.06224
|
|
29 12D+1 0.13866 0.35977 -0.19225 -0.21431 -0.16027
|
|
30 12D-1 1.03974 0.46353 0.27405 0.30060 -0.17465
|
|
31 12D+2 0.30733 0.52114 0.01310 0.28267 -1.02636
|
|
32 12D-2 -0.35250 0.13574 -0.65537 -0.21732 0.42952
|
|
33 13F 0 0.00434 -0.00647 -0.02496 0.02199 0.05000
|
|
34 13F+1 -0.00600 -0.00318 0.05070 -0.02761 0.02212
|
|
35 13F-1 -0.01822 0.00770 0.00121 0.02415 0.00452
|
|
36 13F+2 -0.02426 0.02085 -0.00346 -0.03696 0.00796
|
|
37 13F-2 0.00431 0.01946 0.01472 0.00290 0.02946
|
|
38 13F+3 -0.00809 -0.04401 0.01309 0.01154 -0.02448
|
|
39 13F-3 0.01178 0.04803 -0.00753 0.00979 0.01895
|
|
40 14F 0 0.01780 0.32359 0.58452 -0.25666 -0.33558
|
|
41 14F+1 0.16910 0.18685 -0.89867 0.79236 0.14820
|
|
42 14F-1 0.43226 0.05231 0.03169 -0.16838 0.30358
|
|
43 14F+2 0.22004 -0.52210 -0.23471 0.88763 -0.19714
|
|
44 14F-2 0.00239 -0.25624 -0.24101 -0.00636 -0.32448
|
|
45 14F+3 -0.02190 0.41145 -0.40520 -0.08556 0.11600
|
|
46 14F-3 -0.06035 -0.32343 0.15237 -0.03279 0.00738
|
|
47 15G 0 -0.00366 0.02535 0.01605 0.02773 0.02421
|
|
48 15G+1 -0.01551 -0.01401 -0.06511 0.08361 0.02274
|
|
49 15G-1 -0.00616 0.01778 0.00085 0.00365 0.02233
|
|
50 15G+2 -0.01579 -0.01276 0.00673 0.01726 0.00307
|
|
51 15G-2 0.00805 -0.00150 -0.05057 0.05585 0.02177
|
|
52 15G+3 0.00147 0.01700 0.03763 -0.03836 0.00239
|
|
53 15G-3 -0.02027 -0.02681 -0.04093 0.04765 0.02471
|
|
54 15G+4 0.02008 0.00370 0.03037 0.00270 0.03699
|
|
55 15G-4 0.00023 -0.02810 -0.02688 -0.00767 0.01415
|
|
56 2 N 1S -0.00795 -0.00838 0.02223 -0.02750 0.01900
|
|
57 2S 0.05513 -0.02544 -0.06427 0.08336 -0.02605
|
|
58 3S 0.67127 -0.86822 0.08041 0.00440 1.04588
|
|
59 4S -2.22850 3.47736 -3.09942 2.78212 -7.51825
|
|
60 5S -1.90565 0.86615 -4.55750 1.45705 -6.45601
|
|
61 6PX 0.01806 0.02075 -0.02233 0.02534 -0.02365
|
|
62 6PY -0.00432 0.08014 0.00461 0.03952 0.03669
|
|
63 6PZ -0.04719 -0.02668 -0.03110 0.02692 -0.00496
|
|
64 7PX 0.38032 0.10695 0.14377 0.35333 -0.42658
|
|
65 7PY -0.03360 0.54346 0.30528 0.14464 0.72027
|
|
66 7PZ -0.58513 -0.34186 -0.48290 -0.12242 0.11366
|
|
67 8PX -0.74286 1.91231 -2.74275 -1.57224 -0.89613
|
|
68 8PY 0.51318 -1.58745 -0.61561 -0.90157 -1.61462
|
|
69 8PZ 0.41751 0.29540 1.08157 3.20232 -3.19755
|
|
70 9PX -0.32519 0.38948 -0.66150 0.08648 -0.50735
|
|
71 9PY -0.15786 -0.60214 -0.25154 -0.30429 -1.21224
|
|
72 9PZ 0.44620 0.19361 -0.51322 0.49293 -0.97860
|
|
73 10D 0 0.01606 0.02409 -0.00326 -0.01145 0.01090
|
|
74 10D+1 -0.00793 0.00650 -0.00731 0.00258 -0.01190
|
|
75 10D-1 0.00341 0.01178 0.01120 0.01689 -0.02869
|
|
76 10D+2 -0.00973 0.01770 0.00660 0.01191 0.00381
|
|
77 10D-2 -0.01423 0.02309 0.00253 -0.00851 -0.01505
|
|
78 11D 0 -0.33026 -0.32750 0.05012 0.26014 -0.27311
|
|
79 11D+1 0.06758 -0.20861 0.07626 0.08429 0.02727
|
|
80 11D-1 -0.33543 -0.19846 -0.14869 -0.34042 0.29914
|
|
81 11D+2 0.05687 -0.11153 -0.05027 -0.17626 -0.19214
|
|
82 11D-2 0.37065 -0.30108 -0.16993 -0.12326 0.31170
|
|
83 12D 0 1.09880 0.63364 0.13241 0.51785 0.06224
|
|
84 12D+1 0.13866 -0.35977 -0.19225 0.21431 -0.16027
|
|
85 12D-1 1.03974 -0.46353 0.27405 -0.30060 -0.17465
|
|
86 12D+2 -0.30733 0.52114 -0.01310 0.28267 1.02636
|
|
87 12D-2 0.35250 0.13574 0.65537 -0.21732 -0.42952
|
|
88 13F 0 -0.00434 -0.00647 0.02496 0.02199 -0.05000
|
|
89 13F+1 -0.00600 0.00318 0.05070 0.02761 0.02212
|
|
90 13F-1 -0.01822 -0.00770 0.00121 -0.02415 0.00452
|
|
91 13F+2 0.02426 0.02085 0.00346 -0.03696 -0.00796
|
|
92 13F-2 -0.00431 0.01946 -0.01472 0.00290 -0.02946
|
|
93 13F+3 -0.00809 0.04401 0.01309 -0.01154 -0.02448
|
|
94 13F-3 0.01178 -0.04803 -0.00753 -0.00979 0.01895
|
|
95 14F 0 -0.01780 0.32359 -0.58452 -0.25666 0.33558
|
|
96 14F+1 0.16910 -0.18685 -0.89867 -0.79236 0.14820
|
|
97 14F-1 0.43226 -0.05231 0.03169 0.16838 0.30358
|
|
98 14F+2 -0.22004 -0.52210 0.23471 0.88763 0.19714
|
|
99 14F-2 -0.00239 -0.25624 0.24101 -0.00636 0.32448
|
|
100 14F+3 -0.02190 -0.41145 -0.40520 0.08556 0.11600
|
|
101 14F-3 -0.06035 0.32343 0.15237 0.03279 0.00738
|
|
102 15G 0 0.00366 0.02535 -0.01605 0.02773 -0.02421
|
|
103 15G+1 -0.01551 0.01401 -0.06511 -0.08361 0.02274
|
|
104 15G-1 -0.00616 -0.01778 0.00085 -0.00365 0.02233
|
|
105 15G+2 0.01579 -0.01276 -0.00673 0.01726 -0.00307
|
|
106 15G-2 -0.00805 -0.00150 0.05057 0.05585 -0.02177
|
|
107 15G+3 0.00147 -0.01700 0.03763 0.03836 0.00239
|
|
108 15G-3 -0.02027 0.02681 -0.04093 -0.04765 0.02471
|
|
109 15G+4 -0.02008 0.00370 -0.03037 0.00270 -0.03699
|
|
110 15G-4 -0.00023 -0.02810 0.02688 -0.00767 -0.01415
|
|
111 3 H 1S 0.01989 0.00451 -0.00861 -0.04318 -0.04586
|
|
112 2S 0.34198 -1.04111 0.91966 -1.03216 -0.55453
|
|
113 3S -1.78172 -0.32484 -2.08758 -3.06303 -4.52951
|
|
114 4S -0.06910 -0.02761 -0.22307 0.10004 0.08001
|
|
115 5PX -0.00721 -0.04158 -0.08635 0.01409 -0.05455
|
|
116 5PY 0.03449 0.01259 -0.00828 -0.08076 -0.06235
|
|
117 5PZ -0.02442 -0.00431 -0.01019 -0.10822 -0.12572
|
|
118 6PX 0.04923 0.46187 0.82327 -0.25542 0.48877
|
|
119 6PY -0.25436 -0.04444 -0.00795 0.88161 0.62916
|
|
120 6PZ 0.33936 0.27614 -0.18411 1.21843 1.33639
|
|
121 7PX 0.42562 0.00867 0.81413 -0.00587 0.66659
|
|
122 7PY 0.38746 -0.32705 0.41207 0.56458 0.82474
|
|
123 7PZ 1.15229 -0.23471 0.76041 0.82973 1.37345
|
|
124 8D 0 0.00456 -0.02381 0.06930 -0.03268 -0.03040
|
|
125 8D+1 0.03002 -0.01615 0.01889 0.01070 0.01911
|
|
126 8D-1 0.04325 -0.05532 0.04450 -0.02310 0.01186
|
|
127 8D+2 0.00167 0.00134 -0.00501 0.01395 -0.01370
|
|
128 8D-2 -0.00944 -0.03232 0.02963 -0.00360 0.00679
|
|
129 9D 0 -0.31904 0.16686 -0.20971 -0.28731 -0.40475
|
|
130 9D+1 -0.43280 -0.16126 -0.78817 0.27744 -0.52071
|
|
131 9D-1 -0.48078 0.53768 -0.32208 -0.56951 -0.57611
|
|
132 9D+2 0.03227 -0.08746 -0.08333 0.19846 0.21511
|
|
133 9D-2 0.04110 0.12293 -0.54993 0.13198 -0.32952
|
|
134 10F 0 0.03612 -0.01792 -0.06369 0.02775 0.04030
|
|
135 10F+1 0.00891 0.02920 0.05932 -0.05396 0.02409
|
|
136 10F-1 0.01212 -0.00676 -0.01550 0.08307 0.05713
|
|
137 10F+2 0.01900 0.01699 0.03123 -0.03560 -0.00768
|
|
138 10F-2 0.00955 0.03360 0.03291 -0.01847 0.02934
|
|
139 10F+3 -0.00027 0.00588 -0.02079 -0.00473 0.02713
|
|
140 10F-3 0.03237 0.00279 0.02901 -0.05508 -0.02141
|
|
141 4 H 1S -0.00914 -0.04014 0.00054 0.00766 -0.05021
|
|
142 2S -0.88512 -0.60926 -0.60076 0.63066 0.61934
|
|
143 3S -0.68895 -2.44092 -3.39586 -0.64047 -3.65450
|
|
144 4S 0.03526 0.08252 -0.16225 -0.19095 -0.09090
|
|
145 5PX 0.02500 0.10896 0.06026 -0.01641 0.10765
|
|
146 5PY -0.00794 -0.04411 -0.06186 0.02817 -0.03958
|
|
147 5PZ 0.01594 0.00499 -0.03907 0.09663 0.07229
|
|
148 6PX -0.36372 -1.10341 -0.82832 0.30957 -0.82899
|
|
149 6PY 0.08119 0.33746 0.54824 -0.43149 0.37189
|
|
150 6PZ -0.19091 0.00621 0.46023 -0.97828 -0.57975
|
|
151 7PX 0.20450 -0.93973 -1.21078 -0.39046 -1.39590
|
|
152 7PY -0.26524 -0.08081 0.35960 -0.02447 0.91287
|
|
153 7PZ 0.18640 -0.20726 -0.25699 -0.72006 -0.69296
|
|
154 8D 0 0.01540 0.00796 0.02474 -0.02297 -0.02501
|
|
155 8D+1 -0.03384 0.00823 0.00031 0.03149 0.04119
|
|
156 8D-1 0.00843 0.03410 0.00076 -0.01227 -0.00981
|
|
157 8D+2 -0.02165 -0.00877 0.00681 0.06496 0.03123
|
|
158 8D-2 0.05972 0.02663 -0.00552 -0.00845 -0.02897
|
|
159 9D 0 -0.05049 0.24173 0.14925 -0.17402 0.45472
|
|
160 9D+1 0.23808 -0.15898 0.32973 -0.99987 -0.75741
|
|
161 9D-1 -0.09064 -0.30884 -0.07728 0.37086 0.30402
|
|
162 9D+2 0.07746 -0.51883 -0.43742 -0.33713 -0.43239
|
|
163 9D-2 -0.48419 0.01366 0.56332 -0.23141 0.68802
|
|
164 10F 0 -0.00232 0.01267 -0.03225 0.05139 0.02047
|
|
165 10F+1 0.01027 0.04232 0.02798 -0.06163 0.00806
|
|
166 10F-1 -0.01339 -0.02967 -0.06293 0.01760 -0.01244
|
|
167 10F+2 -0.01261 -0.00417 0.04496 -0.03999 -0.03414
|
|
168 10F-2 0.00359 0.02625 -0.03025 0.03508 0.03950
|
|
169 10F+3 0.00780 -0.03930 0.01306 0.03530 -0.00433
|
|
170 10F-3 0.01517 0.01619 0.02061 -0.05578 0.05690
|
|
171 5 H 1S -0.01989 0.00451 0.00861 -0.04318 0.04586
|
|
172 2S -0.34198 -1.04111 -0.91966 -1.03216 0.55453
|
|
173 3S 1.78172 -0.32484 2.08758 -3.06303 4.52951
|
|
174 4S 0.06910 -0.02761 0.22307 0.10004 -0.08001
|
|
175 5PX -0.00721 0.04158 -0.08635 -0.01409 -0.05455
|
|
176 5PY 0.03449 -0.01259 -0.00828 0.08076 -0.06235
|
|
177 5PZ 0.02442 -0.00431 0.01019 -0.10822 0.12572
|
|
178 6PX 0.04923 -0.46187 0.82327 0.25542 0.48877
|
|
179 6PY -0.25436 0.04444 -0.00795 -0.88161 0.62916
|
|
180 6PZ -0.33936 0.27614 0.18411 1.21843 -1.33639
|
|
181 7PX 0.42562 -0.00867 0.81413 0.00587 0.66659
|
|
182 7PY 0.38746 0.32705 0.41207 -0.56458 0.82474
|
|
183 7PZ -1.15229 -0.23471 -0.76041 0.82973 -1.37345
|
|
184 8D 0 -0.00456 -0.02381 -0.06930 -0.03268 0.03040
|
|
185 8D+1 0.03002 0.01615 0.01889 -0.01070 0.01911
|
|
186 8D-1 0.04325 0.05532 0.04450 0.02310 0.01186
|
|
187 8D+2 -0.00167 0.00134 0.00501 0.01395 0.01370
|
|
188 8D-2 0.00944 -0.03232 -0.02963 -0.00360 -0.00679
|
|
189 9D 0 0.31904 0.16686 0.20971 -0.28731 0.40475
|
|
190 9D+1 -0.43280 0.16126 -0.78817 -0.27744 -0.52071
|
|
191 9D-1 -0.48078 -0.53768 -0.32208 0.56951 -0.57611
|
|
192 9D+2 -0.03227 -0.08746 0.08333 0.19846 -0.21511
|
|
193 9D-2 -0.04110 0.12293 0.54993 0.13198 0.32952
|
|
194 10F 0 -0.03612 -0.01792 0.06369 0.02775 -0.04030
|
|
195 10F+1 0.00891 -0.02920 0.05932 0.05396 0.02409
|
|
196 10F-1 0.01212 0.00676 -0.01550 -0.08307 0.05713
|
|
197 10F+2 -0.01900 0.01699 -0.03123 -0.03560 0.00768
|
|
198 10F-2 -0.00955 0.03360 -0.03291 -0.01847 -0.02934
|
|
199 10F+3 -0.00027 -0.00588 -0.02079 0.00473 0.02713
|
|
200 10F-3 0.03237 -0.00279 0.02901 0.05508 -0.02141
|
|
201 6 H 1S 0.00914 -0.04014 -0.00054 0.00766 0.05021
|
|
202 2S 0.88512 -0.60926 0.60076 0.63066 -0.61934
|
|
203 3S 0.68895 -2.44092 3.39586 -0.64047 3.65450
|
|
204 4S -0.03526 0.08252 0.16225 -0.19095 0.09090
|
|
205 5PX 0.02500 -0.10896 0.06026 0.01641 0.10765
|
|
206 5PY -0.00794 0.04411 -0.06186 -0.02817 -0.03958
|
|
207 5PZ -0.01594 0.00499 0.03907 0.09663 -0.07229
|
|
208 6PX -0.36372 1.10341 -0.82832 -0.30957 -0.82899
|
|
209 6PY 0.08119 -0.33746 0.54824 0.43149 0.37189
|
|
210 6PZ 0.19091 0.00621 -0.46023 -0.97828 0.57975
|
|
211 7PX 0.20450 0.93973 -1.21078 0.39046 -1.39590
|
|
212 7PY -0.26524 0.08081 0.35960 0.02447 0.91287
|
|
213 7PZ -0.18640 -0.20726 0.25699 -0.72006 0.69296
|
|
214 8D 0 -0.01540 0.00796 -0.02474 -0.02297 0.02501
|
|
215 8D+1 -0.03384 -0.00823 0.00031 -0.03149 0.04119
|
|
216 8D-1 0.00843 -0.03410 0.00076 0.01227 -0.00981
|
|
217 8D+2 0.02165 -0.00877 -0.00681 0.06496 -0.03123
|
|
218 8D-2 -0.05972 0.02663 0.00552 -0.00845 0.02897
|
|
219 9D 0 0.05049 0.24173 -0.14925 -0.17402 -0.45472
|
|
220 9D+1 0.23808 0.15898 0.32973 0.99987 -0.75741
|
|
221 9D-1 -0.09064 0.30884 -0.07728 -0.37086 0.30402
|
|
222 9D+2 -0.07746 -0.51883 0.43742 -0.33713 0.43239
|
|
223 9D-2 0.48419 0.01366 -0.56332 -0.23141 -0.68802
|
|
224 10F 0 0.00232 0.01267 0.03225 0.05139 -0.02047
|
|
225 10F+1 0.01027 -0.04232 0.02798 0.06163 0.00806
|
|
226 10F-1 -0.01339 0.02967 -0.06293 -0.01760 -0.01244
|
|
227 10F+2 0.01261 -0.00417 -0.04496 -0.03999 0.03414
|
|
228 10F-2 -0.00359 0.02625 0.03025 0.03508 -0.03950
|
|
229 10F+3 0.00780 0.03930 0.01306 -0.03530 -0.00433
|
|
230 10F-3 0.01517 -0.01619 0.02061 0.05578 0.05690
|
|
101 102 103 104 105
|
|
V V V V V
|
|
Eigenvalues -- 3.97788 4.11916 4.12061 4.20926 4.23783
|
|
1 1 N 1S -0.01511 0.01515 -0.00312 -0.00474 -0.02649
|
|
2 2S 0.03699 -0.08876 -0.04864 0.00341 0.13747
|
|
3 3S -0.00425 -0.20437 -1.29258 -0.20193 1.00301
|
|
4 4S 0.65237 -2.54874 4.58115 1.20556 -0.19643
|
|
5 5S -0.45999 -3.43250 4.50707 1.90780 -0.61340
|
|
6 6PX 0.06574 0.01009 0.02507 0.01408 0.00113
|
|
7 6PY -0.04253 -0.08967 -0.00959 -0.02711 0.01450
|
|
8 6PZ 0.04322 -0.00993 0.03276 0.01480 0.04895
|
|
9 7PX 0.84267 -0.04076 0.58857 0.16707 -0.24529
|
|
10 7PY -0.18463 -0.52428 -0.22849 0.05698 0.19218
|
|
11 7PZ 0.62907 -0.20630 0.21978 0.03951 0.45626
|
|
12 8PX -0.42319 2.50714 -2.13610 -1.21607 2.27905
|
|
13 8PY 0.15302 -1.11930 2.29985 -0.72723 -0.22984
|
|
14 8PZ 0.22950 -0.73040 2.57749 0.69107 -0.64041
|
|
15 9PX -0.21120 0.79155 -0.43299 -0.30194 0.27380
|
|
16 9PY 0.15429 0.53301 -0.20339 -0.01299 -0.05774
|
|
17 9PZ -0.12165 -0.58257 0.93634 0.20670 -0.13286
|
|
18 10D 0 -0.01337 0.00999 0.00747 0.00912 0.00141
|
|
19 10D+1 -0.00114 0.00073 -0.01304 0.01294 -0.01769
|
|
20 10D-1 -0.00811 0.01292 -0.02962 -0.01003 0.00339
|
|
21 10D+2 0.02579 0.03411 -0.00317 -0.02571 0.00665
|
|
22 10D-2 0.00768 -0.02294 0.00560 -0.00851 -0.00911
|
|
23 11D 0 0.41091 -0.04370 0.06348 -0.07209 -0.11459
|
|
24 11D+1 0.07900 0.05222 0.16503 -0.16314 0.62258
|
|
25 11D-1 0.07359 -0.28669 0.58198 0.18672 0.14400
|
|
26 11D+2 -0.33754 -0.53934 0.15028 0.58329 -0.23010
|
|
27 11D-2 -0.24747 0.30210 0.09375 0.56017 0.22626
|
|
28 12D 0 -0.24016 0.61874 -0.83618 -0.35339 -0.53448
|
|
29 12D+1 0.15594 0.69573 -0.16203 0.21408 0.33989
|
|
30 12D-1 -0.45941 0.19114 -0.38947 0.15423 0.03543
|
|
31 12D+2 0.78151 0.75634 0.70203 0.80299 -0.19619
|
|
32 12D-2 0.06930 -0.08276 -1.33884 -0.21379 0.51806
|
|
33 13F 0 -0.00603 -0.02561 0.04956 0.00952 0.02326
|
|
34 13F+1 -0.00925 -0.01683 -0.00719 -0.02037 -0.00448
|
|
35 13F-1 0.04665 0.00818 0.03868 0.00370 0.01116
|
|
36 13F+2 0.00838 0.01076 0.01026 0.00100 -0.03745
|
|
37 13F-2 0.01107 -0.02831 0.00825 0.05001 -0.01712
|
|
38 13F+3 0.00174 0.07382 0.01318 0.03787 0.00238
|
|
39 13F-3 -0.01159 0.01687 -0.04387 -0.00229 -0.01088
|
|
40 14F 0 0.21557 0.25966 -0.54832 -0.06220 -0.63058
|
|
41 14F+1 0.14327 0.14746 0.56249 0.50082 0.22071
|
|
42 14F-1 -0.54038 -0.03425 -0.06651 -0.07227 -0.20383
|
|
43 14F+2 -0.14749 -0.02549 -0.18942 0.02614 0.74797
|
|
44 14F-2 -0.18094 0.29601 0.12185 -0.89000 0.38689
|
|
45 14F+3 0.01974 -0.93008 -0.48936 -0.85045 0.22541
|
|
46 14F-3 0.13149 -0.44468 1.02724 -0.25411 0.02566
|
|
47 15G 0 0.01344 -0.00397 0.02182 0.03077 -0.02589
|
|
48 15G+1 -0.01716 0.00912 0.01126 0.01787 0.03604
|
|
49 15G-1 -0.00671 0.00047 0.03908 -0.00699 -0.03882
|
|
50 15G+2 0.00071 -0.00071 -0.03914 -0.01527 0.02001
|
|
51 15G-2 -0.00827 0.01196 0.03234 0.01222 0.00727
|
|
52 15G+3 0.01814 0.00351 -0.02248 0.02267 -0.02226
|
|
53 15G-3 -0.00489 0.02378 0.01358 0.00571 0.03948
|
|
54 15G+4 0.01755 0.03638 0.00242 0.04133 -0.02982
|
|
55 15G-4 -0.02534 0.03471 -0.06757 0.02879 0.01203
|
|
56 2 N 1S -0.01511 0.01515 0.00312 -0.00474 0.02649
|
|
57 2S 0.03699 -0.08876 0.04864 0.00341 -0.13747
|
|
58 3S -0.00425 -0.20437 1.29258 -0.20193 -1.00301
|
|
59 4S 0.65237 -2.54874 -4.58115 1.20556 0.19643
|
|
60 5S -0.45999 -3.43250 -4.50707 1.90780 0.61340
|
|
61 6PX -0.06574 -0.01009 0.02507 -0.01408 0.00113
|
|
62 6PY 0.04253 0.08967 -0.00959 0.02711 0.01450
|
|
63 6PZ 0.04322 -0.00993 -0.03276 0.01480 -0.04895
|
|
64 7PX -0.84267 0.04076 0.58857 -0.16707 -0.24529
|
|
65 7PY 0.18463 0.52428 -0.22849 -0.05698 0.19218
|
|
66 7PZ 0.62907 -0.20630 -0.21978 0.03951 -0.45626
|
|
67 8PX 0.42319 -2.50714 -2.13610 1.21607 2.27905
|
|
68 8PY -0.15302 1.11930 2.29985 0.72723 -0.22984
|
|
69 8PZ 0.22950 -0.73040 -2.57749 0.69107 0.64041
|
|
70 9PX 0.21120 -0.79155 -0.43299 0.30194 0.27380
|
|
71 9PY -0.15429 -0.53301 -0.20339 0.01299 -0.05774
|
|
72 9PZ -0.12165 -0.58257 -0.93634 0.20670 0.13286
|
|
73 10D 0 -0.01337 0.00999 -0.00747 0.00912 -0.00141
|
|
74 10D+1 0.00114 -0.00073 -0.01304 -0.01294 -0.01769
|
|
75 10D-1 0.00811 -0.01292 -0.02962 0.01003 0.00339
|
|
76 10D+2 0.02579 0.03411 0.00317 -0.02571 -0.00665
|
|
77 10D-2 0.00768 -0.02294 -0.00560 -0.00851 0.00911
|
|
78 11D 0 0.41091 -0.04370 -0.06348 -0.07209 0.11459
|
|
79 11D+1 -0.07900 -0.05222 0.16503 0.16314 0.62258
|
|
80 11D-1 -0.07359 0.28669 0.58198 -0.18672 0.14400
|
|
81 11D+2 -0.33754 -0.53934 -0.15028 0.58329 0.23010
|
|
82 11D-2 -0.24747 0.30210 -0.09375 0.56017 -0.22626
|
|
83 12D 0 -0.24016 0.61874 0.83618 -0.35339 0.53448
|
|
84 12D+1 -0.15594 -0.69573 -0.16203 -0.21408 0.33989
|
|
85 12D-1 0.45941 -0.19114 -0.38947 -0.15423 0.03543
|
|
86 12D+2 0.78151 0.75634 -0.70203 0.80299 0.19619
|
|
87 12D-2 0.06930 -0.08276 1.33884 -0.21379 -0.51806
|
|
88 13F 0 -0.00603 -0.02561 -0.04956 0.00952 -0.02326
|
|
89 13F+1 0.00925 0.01683 -0.00719 0.02037 -0.00448
|
|
90 13F-1 -0.04665 -0.00818 0.03868 -0.00370 0.01116
|
|
91 13F+2 0.00838 0.01076 -0.01026 0.00100 0.03745
|
|
92 13F-2 0.01107 -0.02831 -0.00825 0.05001 0.01712
|
|
93 13F+3 -0.00174 -0.07382 0.01318 -0.03787 0.00238
|
|
94 13F-3 0.01159 -0.01687 -0.04387 0.00229 -0.01088
|
|
95 14F 0 0.21557 0.25966 0.54832 -0.06220 0.63058
|
|
96 14F+1 -0.14327 -0.14746 0.56249 -0.50082 0.22071
|
|
97 14F-1 0.54038 0.03425 -0.06651 0.07227 -0.20383
|
|
98 14F+2 -0.14749 -0.02549 0.18942 0.02614 -0.74797
|
|
99 14F-2 -0.18094 0.29601 -0.12185 -0.89000 -0.38689
|
|
100 14F+3 -0.01974 0.93008 -0.48936 0.85045 0.22541
|
|
101 14F-3 -0.13149 0.44468 1.02724 0.25411 0.02566
|
|
102 15G 0 0.01344 -0.00397 -0.02182 0.03077 0.02589
|
|
103 15G+1 0.01716 -0.00912 0.01126 -0.01787 0.03604
|
|
104 15G-1 0.00671 -0.00047 0.03908 0.00699 -0.03882
|
|
105 15G+2 0.00071 -0.00071 0.03914 -0.01527 -0.02001
|
|
106 15G-2 -0.00827 0.01196 -0.03234 0.01222 -0.00727
|
|
107 15G+3 -0.01814 -0.00351 -0.02248 -0.02267 -0.02226
|
|
108 15G-3 0.00489 -0.02378 0.01358 -0.00571 0.03948
|
|
109 15G+4 0.01755 0.03638 -0.00242 0.04133 0.02982
|
|
110 15G-4 -0.02534 0.03471 0.06757 0.02879 -0.01203
|
|
111 3 H 1S -0.04892 0.03768 -0.05278 -0.00794 -0.02783
|
|
112 2S 0.62533 -0.83644 -0.16284 0.17905 0.73485
|
|
113 3S -1.57640 3.01704 -4.12862 -1.13453 -0.93981
|
|
114 4S 0.02597 0.21402 -0.07612 -0.09946 0.01259
|
|
115 5PX -0.02472 0.06410 -0.01451 -0.00740 0.08869
|
|
116 5PY -0.07111 -0.00650 -0.01134 -0.02790 -0.00471
|
|
117 5PZ -0.06499 0.06363 -0.14752 -0.01122 -0.07823
|
|
118 6PX 0.20620 -0.55826 0.15040 0.03106 -1.08865
|
|
119 6PY 0.50290 0.12545 0.18239 0.24436 -0.09538
|
|
120 6PZ 0.36053 -0.43042 1.52200 0.08572 0.46845
|
|
121 7PX 0.46086 -0.64734 0.65558 -0.03898 -0.46817
|
|
122 7PY 0.44182 -0.89322 0.59200 0.33298 0.19790
|
|
123 7PZ 1.01230 -1.10296 1.41432 0.36002 0.89624
|
|
124 8D 0 0.03660 -0.03902 -0.01946 0.00825 0.07594
|
|
125 8D+1 0.04022 -0.04140 0.01524 0.00136 -0.00894
|
|
126 8D-1 0.03660 -0.03587 -0.01660 0.01017 0.03029
|
|
127 8D+2 -0.00329 -0.01025 0.01980 -0.00356 0.00296
|
|
128 8D-2 0.00462 -0.00657 0.00037 -0.01832 -0.01012
|
|
129 9D 0 -0.42178 0.38836 -0.73716 -0.03964 -0.94252
|
|
130 9D+1 -0.56492 0.63338 -0.32550 -0.06069 0.70043
|
|
131 9D-1 -0.71358 0.44752 -0.28618 -0.27698 -0.37762
|
|
132 9D+2 0.01387 -0.02595 -0.13447 0.09877 0.14162
|
|
133 9D-2 -0.18044 0.17127 0.01304 0.21061 0.34855
|
|
134 10F 0 0.01260 -0.00103 0.08935 -0.01673 0.02653
|
|
135 10F+1 0.01995 -0.02014 0.04313 0.00818 -0.05933
|
|
136 10F-1 0.03238 -0.00727 0.05755 0.00571 0.01301
|
|
137 10F+2 -0.00776 -0.01433 -0.02395 -0.01354 -0.04023
|
|
138 10F-2 0.03476 -0.02437 0.00282 0.01257 -0.03573
|
|
139 10F+3 -0.02180 -0.02081 -0.01615 -0.03961 0.00800
|
|
140 10F-3 0.00813 -0.00552 0.00528 -0.01310 -0.00123
|
|
141 4 H 1S 0.02355 0.06453 0.03451 0.00419 -0.01452
|
|
142 2S -1.24810 -0.10918 -2.32980 -0.55317 0.85107
|
|
143 3S 1.88234 3.86225 -1.84689 -1.85735 0.88932
|
|
144 4S 0.07177 -0.01696 0.00739 -0.10692 0.02517
|
|
145 5PX -0.05136 -0.13779 -0.00016 -0.03193 -0.00428
|
|
146 5PY 0.01611 -0.00714 0.03265 -0.09340 0.02047
|
|
147 5PZ -0.01031 -0.06290 0.07567 0.05740 0.00111
|
|
148 6PX 0.16657 1.18544 -0.86326 0.10817 0.36778
|
|
149 6PY -0.04488 0.24851 -0.17469 1.09406 -0.31380
|
|
150 6PZ 0.07189 0.57318 -0.98552 -0.64815 0.07819
|
|
151 7PX 1.30580 1.28259 -0.10627 -0.28215 0.12028
|
|
152 7PY -0.47715 -0.50948 -0.49756 0.80185 -0.00451
|
|
153 7PZ 0.58892 0.66593 -0.57574 -0.43701 0.19984
|
|
154 8D 0 0.02525 0.00308 0.07055 0.00493 -0.05850
|
|
155 8D+1 -0.04067 -0.02743 -0.02887 0.00093 -0.02247
|
|
156 8D-1 0.01690 0.00474 0.00960 0.01238 -0.00707
|
|
157 8D+2 -0.04689 0.01196 -0.06572 -0.04796 0.04418
|
|
158 8D-2 0.05044 0.02451 0.04469 -0.02647 -0.04005
|
|
159 9D 0 -0.30581 -0.30977 -0.53147 -0.10153 0.22605
|
|
160 9D+1 0.54162 0.60937 -0.46946 -0.48056 0.09628
|
|
161 9D-1 -0.17198 -0.09849 0.17550 0.24079 0.06956
|
|
162 9D+2 0.51901 0.56242 0.04251 0.77936 -0.18442
|
|
163 9D-2 -0.61920 -0.02555 -0.48401 0.86832 -0.04556
|
|
164 10F 0 -0.01082 -0.00435 0.02941 0.01816 0.00278
|
|
165 10F+1 -0.01725 -0.02553 -0.02378 -0.03201 -0.04204
|
|
166 10F-1 -0.02869 0.03040 0.02149 0.00807 0.04321
|
|
167 10F+2 0.01511 0.04655 -0.06189 -0.02649 -0.01226
|
|
168 10F-2 -0.00672 -0.00313 0.01726 0.05268 0.00792
|
|
169 10F+3 0.03422 0.07892 -0.04188 0.05153 -0.00404
|
|
170 10F-3 -0.03248 0.02239 -0.02448 0.05221 -0.03313
|
|
171 5 H 1S -0.04892 0.03768 0.05278 -0.00794 0.02783
|
|
172 2S 0.62533 -0.83644 0.16284 0.17905 -0.73485
|
|
173 3S -1.57640 3.01704 4.12862 -1.13453 0.93981
|
|
174 4S 0.02597 0.21402 0.07612 -0.09946 -0.01259
|
|
175 5PX 0.02472 -0.06410 -0.01451 0.00740 0.08869
|
|
176 5PY 0.07111 0.00650 -0.01134 0.02790 -0.00471
|
|
177 5PZ -0.06499 0.06363 0.14752 -0.01122 0.07823
|
|
178 6PX -0.20620 0.55826 0.15040 -0.03106 -1.08865
|
|
179 6PY -0.50290 -0.12545 0.18239 -0.24436 -0.09538
|
|
180 6PZ 0.36053 -0.43042 -1.52200 0.08572 -0.46845
|
|
181 7PX -0.46086 0.64734 0.65558 0.03898 -0.46817
|
|
182 7PY -0.44182 0.89322 0.59200 -0.33298 0.19790
|
|
183 7PZ 1.01230 -1.10296 -1.41432 0.36002 -0.89624
|
|
184 8D 0 0.03660 -0.03902 0.01946 0.00825 -0.07594
|
|
185 8D+1 -0.04022 0.04140 0.01524 -0.00136 -0.00894
|
|
186 8D-1 -0.03660 0.03587 -0.01660 -0.01017 0.03029
|
|
187 8D+2 -0.00329 -0.01025 -0.01980 -0.00356 -0.00296
|
|
188 8D-2 0.00462 -0.00657 -0.00037 -0.01832 0.01012
|
|
189 9D 0 -0.42178 0.38836 0.73716 -0.03964 0.94252
|
|
190 9D+1 0.56492 -0.63338 -0.32550 0.06069 0.70043
|
|
191 9D-1 0.71358 -0.44752 -0.28618 0.27698 -0.37762
|
|
192 9D+2 0.01387 -0.02595 0.13447 0.09877 -0.14162
|
|
193 9D-2 -0.18044 0.17127 -0.01304 0.21061 -0.34855
|
|
194 10F 0 0.01260 -0.00103 -0.08935 -0.01673 -0.02653
|
|
195 10F+1 -0.01995 0.02014 0.04313 -0.00818 -0.05933
|
|
196 10F-1 -0.03238 0.00727 0.05755 -0.00571 0.01301
|
|
197 10F+2 -0.00776 -0.01433 0.02395 -0.01354 0.04023
|
|
198 10F-2 0.03476 -0.02437 -0.00282 0.01257 0.03573
|
|
199 10F+3 0.02180 0.02081 -0.01615 0.03961 0.00800
|
|
200 10F-3 -0.00813 0.00552 0.00528 0.01310 -0.00123
|
|
201 6 H 1S 0.02355 0.06453 -0.03451 0.00419 0.01452
|
|
202 2S -1.24810 -0.10918 2.32980 -0.55317 -0.85107
|
|
203 3S 1.88234 3.86225 1.84689 -1.85735 -0.88932
|
|
204 4S 0.07177 -0.01696 -0.00739 -0.10692 -0.02517
|
|
205 5PX 0.05136 0.13779 -0.00016 0.03193 -0.00428
|
|
206 5PY -0.01611 0.00714 0.03265 0.09340 0.02047
|
|
207 5PZ -0.01031 -0.06290 -0.07567 0.05740 -0.00111
|
|
208 6PX -0.16657 -1.18544 -0.86326 -0.10817 0.36778
|
|
209 6PY 0.04488 -0.24851 -0.17469 -1.09406 -0.31380
|
|
210 6PZ 0.07189 0.57318 0.98552 -0.64815 -0.07819
|
|
211 7PX -1.30580 -1.28259 -0.10627 0.28215 0.12028
|
|
212 7PY 0.47715 0.50948 -0.49756 -0.80185 -0.00451
|
|
213 7PZ 0.58892 0.66593 0.57574 -0.43701 -0.19984
|
|
214 8D 0 0.02525 0.00308 -0.07055 0.00493 0.05850
|
|
215 8D+1 0.04067 0.02743 -0.02887 -0.00093 -0.02247
|
|
216 8D-1 -0.01690 -0.00474 0.00960 -0.01238 -0.00707
|
|
217 8D+2 -0.04689 0.01196 0.06572 -0.04796 -0.04418
|
|
218 8D-2 0.05044 0.02451 -0.04469 -0.02647 0.04005
|
|
219 9D 0 -0.30581 -0.30977 0.53147 -0.10153 -0.22605
|
|
220 9D+1 -0.54162 -0.60937 -0.46946 0.48056 0.09628
|
|
221 9D-1 0.17198 0.09849 0.17550 -0.24079 0.06956
|
|
222 9D+2 0.51901 0.56242 -0.04251 0.77936 0.18442
|
|
223 9D-2 -0.61920 -0.02555 0.48401 0.86832 0.04556
|
|
224 10F 0 -0.01082 -0.00435 -0.02941 0.01816 -0.00278
|
|
225 10F+1 0.01725 0.02553 -0.02378 0.03201 -0.04204
|
|
226 10F-1 0.02869 -0.03040 0.02149 -0.00807 0.04321
|
|
227 10F+2 0.01511 0.04655 0.06189 -0.02649 0.01226
|
|
228 10F-2 -0.00672 -0.00313 -0.01726 0.05268 -0.00792
|
|
229 10F+3 -0.03422 -0.07892 -0.04188 -0.05153 -0.00404
|
|
230 10F-3 0.03248 -0.02239 -0.02448 -0.05221 -0.03313
|
|
106 107 108 109 110
|
|
V V V V V
|
|
Eigenvalues -- 4.32390 4.36438 4.38876 4.38890 4.46564
|
|
1 1 N 1S 0.00920 0.02724 0.04318 -0.02128 0.00866
|
|
2 2S -0.06157 -0.11472 -0.18224 0.06639 -0.01059
|
|
3 3S -0.76153 -0.37831 -1.18708 -0.06438 0.37512
|
|
4 4S 2.33772 -2.13988 0.33263 1.94272 -2.15535
|
|
5 5S 2.14489 -1.67202 -0.52524 2.69091 -3.64501
|
|
6 6PX -0.02810 0.03939 0.02579 -0.02811 0.02032
|
|
7 6PY -0.00200 0.00912 0.03513 -0.02125 0.03014
|
|
8 6PZ -0.00976 -0.00614 -0.00982 -0.01542 0.00062
|
|
9 7PX -0.18245 0.30900 0.21865 -0.16296 0.26733
|
|
10 7PY 0.16158 -0.10981 -0.03975 -0.50772 0.16698
|
|
11 7PZ -0.24046 -0.25998 -0.09783 -0.21752 0.08247
|
|
12 8PX -0.95841 0.43312 0.24567 -1.59451 2.39133
|
|
13 8PY -0.18698 -0.24848 0.99657 3.54284 -1.01281
|
|
14 8PZ 1.45647 0.46203 1.27967 -0.14477 1.15556
|
|
15 9PX -0.15036 0.30422 0.10460 -0.43132 1.03249
|
|
16 9PY -0.00912 0.08254 0.24419 0.11109 0.06840
|
|
17 9PZ 0.50538 -0.19966 -0.06413 0.44715 -0.10540
|
|
18 10D 0 -0.03304 0.00048 -0.01786 0.01135 -0.02481
|
|
19 10D+1 -0.00113 0.01521 0.01398 -0.01842 0.00043
|
|
20 10D-1 0.02243 0.02522 -0.02853 -0.01268 -0.01888
|
|
21 10D+2 -0.02129 0.00486 -0.01177 0.00688 0.01563
|
|
22 10D-2 0.00797 0.01125 -0.00657 0.02493 -0.03038
|
|
23 11D 0 0.62865 -0.16831 0.22857 -0.25893 0.72265
|
|
24 11D+1 0.09209 -0.34751 -0.52498 0.47728 0.15633
|
|
25 11D-1 -0.44749 -0.47107 0.53841 0.07337 -0.23163
|
|
26 11D+2 0.36919 -0.11242 -0.22475 -0.07524 -0.44456
|
|
27 11D-2 -0.34861 0.15858 -0.14414 -0.43995 0.62876
|
|
28 12D 0 0.90503 -0.06337 -0.20098 0.27694 -0.05630
|
|
29 12D+1 0.15790 0.16961 -0.55968 0.26992 0.45696
|
|
30 12D-1 0.03447 0.15807 0.80339 0.43832 -1.87571
|
|
31 12D+2 0.03079 -0.06457 -0.32135 -0.40214 0.03651
|
|
32 12D-2 -0.53837 0.70351 -0.69807 -0.46546 0.01695
|
|
33 13F 0 -0.03661 -0.00588 0.01722 0.02470 0.03043
|
|
34 13F+1 0.01472 -0.05399 0.01094 0.02396 -0.00281
|
|
35 13F-1 -0.02337 -0.00592 -0.00293 -0.03325 0.02974
|
|
36 13F+2 -0.01445 -0.01790 0.01776 0.05379 0.05806
|
|
37 13F-2 0.03143 -0.00191 0.01162 -0.01305 -0.00512
|
|
38 13F+3 -0.00732 -0.06843 0.03172 -0.02568 0.01345
|
|
39 13F-3 -0.00716 -0.01594 -0.01467 -0.00073 -0.01253
|
|
40 14F 0 1.06244 -0.06008 -0.22970 -0.15343 -0.50414
|
|
41 14F+1 -0.15865 1.00813 -0.12541 -0.51524 -0.08897
|
|
42 14F-1 0.24494 -0.13366 0.54655 0.71284 -0.31599
|
|
43 14F+2 0.12559 0.63535 -0.27326 -1.26261 -0.88482
|
|
44 14F-2 -0.53958 -0.01396 -0.21927 0.46872 0.13975
|
|
45 14F+3 0.03878 1.13810 -0.49056 0.27667 -0.04398
|
|
46 14F-3 0.12653 0.39559 0.34611 0.31694 -0.33164
|
|
47 15G 0 0.02955 0.01417 -0.00973 -0.04429 -0.02320
|
|
48 15G+1 -0.00038 0.04299 -0.00575 -0.04141 -0.00283
|
|
49 15G-1 0.04555 0.01550 -0.00047 0.05282 -0.00738
|
|
50 15G+2 -0.02658 0.00414 -0.04011 -0.05371 -0.00112
|
|
51 15G-2 -0.01858 0.04245 0.01057 0.00545 -0.00228
|
|
52 15G+3 0.02398 -0.01924 -0.01060 0.00195 0.00011
|
|
53 15G-3 0.02681 0.02706 -0.01643 -0.03657 -0.00273
|
|
54 15G+4 0.00253 -0.04652 -0.00694 -0.02500 -0.00472
|
|
55 15G-4 -0.01636 -0.02196 -0.01239 -0.00434 0.00334
|
|
56 2 N 1S 0.00920 0.02724 0.04318 0.02128 -0.00866
|
|
57 2S -0.06157 -0.11472 -0.18224 -0.06639 0.01059
|
|
58 3S -0.76153 -0.37831 -1.18708 0.06438 -0.37512
|
|
59 4S 2.33772 -2.13988 0.33263 -1.94272 2.15535
|
|
60 5S 2.14489 -1.67202 -0.52524 -2.69091 3.64501
|
|
61 6PX 0.02810 -0.03939 -0.02579 -0.02811 0.02032
|
|
62 6PY 0.00200 -0.00912 -0.03513 -0.02125 0.03014
|
|
63 6PZ -0.00976 -0.00614 -0.00982 0.01542 -0.00062
|
|
64 7PX 0.18245 -0.30900 -0.21865 -0.16296 0.26733
|
|
65 7PY -0.16158 0.10981 0.03975 -0.50772 0.16698
|
|
66 7PZ -0.24046 -0.25998 -0.09783 0.21752 -0.08247
|
|
67 8PX 0.95841 -0.43312 -0.24567 -1.59451 2.39133
|
|
68 8PY 0.18698 0.24848 -0.99657 3.54284 -1.01281
|
|
69 8PZ 1.45647 0.46203 1.27967 0.14477 -1.15556
|
|
70 9PX 0.15036 -0.30422 -0.10460 -0.43132 1.03249
|
|
71 9PY 0.00912 -0.08254 -0.24419 0.11109 0.06840
|
|
72 9PZ 0.50538 -0.19966 -0.06413 -0.44715 0.10540
|
|
73 10D 0 -0.03304 0.00048 -0.01786 -0.01135 0.02481
|
|
74 10D+1 0.00113 -0.01521 -0.01398 -0.01842 0.00043
|
|
75 10D-1 -0.02243 -0.02522 0.02853 -0.01268 -0.01888
|
|
76 10D+2 -0.02129 0.00486 -0.01177 -0.00688 -0.01563
|
|
77 10D-2 0.00797 0.01125 -0.00657 -0.02493 0.03038
|
|
78 11D 0 0.62865 -0.16831 0.22857 0.25893 -0.72265
|
|
79 11D+1 -0.09209 0.34751 0.52498 0.47728 0.15633
|
|
80 11D-1 0.44749 0.47107 -0.53841 0.07337 -0.23163
|
|
81 11D+2 0.36919 -0.11242 -0.22475 0.07524 0.44456
|
|
82 11D-2 -0.34861 0.15858 -0.14414 0.43995 -0.62876
|
|
83 12D 0 0.90503 -0.06337 -0.20098 -0.27694 0.05630
|
|
84 12D+1 -0.15790 -0.16961 0.55968 0.26992 0.45696
|
|
85 12D-1 -0.03447 -0.15807 -0.80339 0.43832 -1.87571
|
|
86 12D+2 0.03079 -0.06457 -0.32135 0.40214 -0.03651
|
|
87 12D-2 -0.53837 0.70351 -0.69807 0.46546 -0.01695
|
|
88 13F 0 -0.03661 -0.00588 0.01722 -0.02470 -0.03043
|
|
89 13F+1 -0.01472 0.05399 -0.01094 0.02396 -0.00281
|
|
90 13F-1 0.02337 0.00592 0.00293 -0.03325 0.02974
|
|
91 13F+2 -0.01445 -0.01790 0.01776 -0.05379 -0.05806
|
|
92 13F-2 0.03143 -0.00191 0.01162 0.01305 0.00512
|
|
93 13F+3 0.00732 0.06843 -0.03172 -0.02568 0.01345
|
|
94 13F-3 0.00716 0.01594 0.01467 -0.00073 -0.01253
|
|
95 14F 0 1.06244 -0.06008 -0.22970 0.15343 0.50414
|
|
96 14F+1 0.15865 -1.00813 0.12541 -0.51524 -0.08897
|
|
97 14F-1 -0.24494 0.13366 -0.54655 0.71284 -0.31599
|
|
98 14F+2 0.12559 0.63535 -0.27326 1.26261 0.88482
|
|
99 14F-2 -0.53958 -0.01396 -0.21927 -0.46872 -0.13975
|
|
100 14F+3 -0.03878 -1.13810 0.49056 0.27667 -0.04398
|
|
101 14F-3 -0.12653 -0.39559 -0.34611 0.31694 -0.33164
|
|
102 15G 0 0.02955 0.01417 -0.00973 0.04429 0.02320
|
|
103 15G+1 0.00038 -0.04299 0.00575 -0.04141 -0.00283
|
|
104 15G-1 -0.04555 -0.01550 0.00047 0.05282 -0.00738
|
|
105 15G+2 -0.02658 0.00414 -0.04011 0.05371 0.00112
|
|
106 15G-2 -0.01858 0.04245 0.01057 -0.00545 0.00228
|
|
107 15G+3 -0.02398 0.01924 0.01060 0.00195 0.00011
|
|
108 15G-3 -0.02681 -0.02706 0.01643 -0.03657 -0.00273
|
|
109 15G+4 0.00253 -0.04652 -0.00694 0.02500 0.00472
|
|
110 15G-4 -0.01636 -0.02196 -0.01239 0.00434 -0.00334
|
|
111 3 H 1S 0.00355 0.04510 -0.01136 0.00508 -0.03290
|
|
112 2S -0.98346 -0.34547 -0.86061 -0.95927 0.51130
|
|
113 3S -1.62632 1.50905 -0.15813 -0.92697 -0.11160
|
|
114 4S -0.08805 0.00755 0.10638 0.03450 -0.07682
|
|
115 5PX -0.06549 0.06585 -0.05949 -0.04292 0.01266
|
|
116 5PY -0.08766 -0.01929 0.03676 0.07613 -0.01718
|
|
117 5PZ 0.02648 0.07250 -0.04734 -0.02624 -0.05296
|
|
118 6PX 0.81327 -0.66752 0.72487 0.59389 -0.17319
|
|
119 6PY 1.13281 0.25030 -0.44747 -0.81316 0.14627
|
|
120 6PZ -0.00147 -0.49516 0.61796 0.66881 0.31857
|
|
121 7PX 0.26689 -0.39405 0.41556 0.18522 -0.32839
|
|
122 7PY 0.72635 -0.34449 -0.62194 -0.71963 0.85182
|
|
123 7PZ -0.08456 -0.48228 0.02825 0.16900 0.26541
|
|
124 8D 0 -0.07475 -0.03024 -0.05122 -0.01997 -0.01629
|
|
125 8D+1 -0.01874 -0.00101 0.01525 -0.02113 -0.01676
|
|
126 8D-1 0.00551 -0.02021 -0.05505 -0.02834 0.03223
|
|
127 8D+2 -0.00978 0.02260 0.03768 -0.01148 -0.06482
|
|
128 8D-2 -0.00226 -0.01836 -0.00847 -0.01115 0.01161
|
|
129 9D 0 0.88574 0.41167 -0.08187 -0.40919 -0.18007
|
|
130 9D+1 -0.31661 0.54222 -0.55136 -0.32162 0.02940
|
|
131 9D-1 -0.63196 -0.01662 0.57846 0.85814 -0.39853
|
|
132 9D+2 0.20688 0.01226 -0.48483 -0.36329 0.47674
|
|
133 9D-2 -0.31762 0.28884 0.01004 0.13820 0.00916
|
|
134 10F 0 -0.04356 -0.02905 0.07235 0.05312 0.06749
|
|
135 10F+1 0.04425 -0.05708 0.05674 0.04218 0.03002
|
|
136 10F-1 0.02975 -0.00535 0.02128 -0.06347 0.04623
|
|
137 10F+2 -0.01979 -0.05958 0.00710 0.07310 0.04827
|
|
138 10F-2 0.05720 -0.01381 0.01263 0.02343 -0.00154
|
|
139 10F+3 -0.03505 0.04782 -0.02968 0.03130 0.02840
|
|
140 10F-3 0.01147 -0.02197 0.00810 0.04960 0.03251
|
|
141 4 H 1S -0.00805 0.00825 0.02851 -0.02652 0.05580
|
|
142 2S -0.04925 -0.11193 -0.45782 -0.47748 0.23617
|
|
143 3S -2.10355 2.49878 1.45437 -3.14997 4.45518
|
|
144 4S -0.08478 0.11458 -0.00236 -0.10388 0.28519
|
|
145 5PX 0.04517 -0.03834 -0.06101 0.11288 -0.12576
|
|
146 5PY -0.00131 0.03965 0.03351 0.02435 0.00058
|
|
147 5PZ -0.01126 0.04421 0.03452 -0.05580 -0.07074
|
|
148 6PX -0.56672 0.42488 0.37025 -1.35627 1.25655
|
|
149 6PY 0.06582 -0.60883 -0.20769 -0.36456 -0.09688
|
|
150 6PZ 0.12525 -0.55234 -0.47518 0.61802 0.75526
|
|
151 7PX -0.86523 1.06791 0.75411 -1.39020 1.46392
|
|
152 7PY 0.34926 -0.70637 -0.51981 -0.04784 -0.75159
|
|
153 7PZ -0.27688 0.11540 -0.07359 -0.16186 0.89326
|
|
154 8D 0 0.01358 -0.01310 0.05994 0.01421 -0.01536
|
|
155 8D+1 -0.00541 -0.00956 0.01947 -0.00081 -0.02421
|
|
156 8D-1 0.01485 -0.01173 0.01784 0.02400 -0.00006
|
|
157 8D+2 0.00942 -0.05538 -0.01819 0.01900 0.01447
|
|
158 8D-2 0.00697 0.00720 0.04477 0.03094 -0.00818
|
|
159 9D 0 0.13715 -0.28687 -0.53668 0.38338 -0.14467
|
|
160 9D+1 -0.03118 -0.34805 -0.23102 0.27683 0.76768
|
|
161 9D-1 -0.10650 -0.00941 -0.12816 -0.35877 -0.17193
|
|
162 9D+2 -0.31475 0.24842 0.34754 -0.91904 0.45386
|
|
163 9D-2 0.23685 -0.83858 -0.38130 -0.18260 -0.28870
|
|
164 10F 0 0.06387 0.03437 0.01477 -0.06388 -0.05933
|
|
165 10F+1 0.04079 -0.03933 0.01773 0.07380 -0.03386
|
|
166 10F-1 0.00647 0.00496 0.01177 0.02685 -0.01326
|
|
167 10F+2 0.02060 -0.05932 0.00432 -0.01011 0.02642
|
|
168 10F-2 -0.00552 -0.00513 0.02480 -0.01565 -0.01841
|
|
169 10F+3 -0.00585 -0.05538 0.02433 -0.05306 0.08273
|
|
170 10F-3 0.02974 -0.06112 0.00244 0.01941 -0.06203
|
|
171 5 H 1S 0.00355 0.04510 -0.01136 -0.00508 0.03290
|
|
172 2S -0.98346 -0.34547 -0.86061 0.95927 -0.51130
|
|
173 3S -1.62632 1.50905 -0.15813 0.92697 0.11160
|
|
174 4S -0.08805 0.00755 0.10638 -0.03450 0.07682
|
|
175 5PX 0.06549 -0.06585 0.05949 -0.04292 0.01266
|
|
176 5PY 0.08766 0.01929 -0.03676 0.07613 -0.01718
|
|
177 5PZ 0.02648 0.07250 -0.04734 0.02624 0.05296
|
|
178 6PX -0.81327 0.66752 -0.72487 0.59389 -0.17319
|
|
179 6PY -1.13281 -0.25030 0.44747 -0.81316 0.14627
|
|
180 6PZ -0.00147 -0.49516 0.61796 -0.66881 -0.31857
|
|
181 7PX -0.26689 0.39405 -0.41556 0.18522 -0.32839
|
|
182 7PY -0.72635 0.34449 0.62194 -0.71963 0.85182
|
|
183 7PZ -0.08456 -0.48228 0.02825 -0.16900 -0.26541
|
|
184 8D 0 -0.07475 -0.03024 -0.05122 0.01997 0.01629
|
|
185 8D+1 0.01874 0.00101 -0.01525 -0.02113 -0.01676
|
|
186 8D-1 -0.00551 0.02021 0.05505 -0.02834 0.03223
|
|
187 8D+2 -0.00978 0.02260 0.03768 0.01148 0.06482
|
|
188 8D-2 -0.00226 -0.01836 -0.00847 0.01115 -0.01161
|
|
189 9D 0 0.88574 0.41167 -0.08187 0.40919 0.18007
|
|
190 9D+1 0.31661 -0.54222 0.55136 -0.32162 0.02940
|
|
191 9D-1 0.63196 0.01662 -0.57846 0.85814 -0.39853
|
|
192 9D+2 0.20688 0.01226 -0.48483 0.36329 -0.47674
|
|
193 9D-2 -0.31762 0.28884 0.01004 -0.13820 -0.00916
|
|
194 10F 0 -0.04356 -0.02905 0.07235 -0.05312 -0.06749
|
|
195 10F+1 -0.04425 0.05708 -0.05674 0.04218 0.03002
|
|
196 10F-1 -0.02975 0.00535 -0.02128 -0.06347 0.04623
|
|
197 10F+2 -0.01979 -0.05958 0.00710 -0.07310 -0.04827
|
|
198 10F-2 0.05720 -0.01381 0.01263 -0.02343 0.00154
|
|
199 10F+3 0.03505 -0.04782 0.02968 0.03130 0.02840
|
|
200 10F-3 -0.01147 0.02197 -0.00810 0.04960 0.03251
|
|
201 6 H 1S -0.00805 0.00825 0.02851 0.02652 -0.05580
|
|
202 2S -0.04925 -0.11193 -0.45782 0.47748 -0.23617
|
|
203 3S -2.10355 2.49878 1.45437 3.14997 -4.45518
|
|
204 4S -0.08478 0.11458 -0.00236 0.10388 -0.28519
|
|
205 5PX -0.04517 0.03834 0.06101 0.11288 -0.12576
|
|
206 5PY 0.00131 -0.03965 -0.03351 0.02435 0.00058
|
|
207 5PZ -0.01126 0.04421 0.03452 0.05580 0.07074
|
|
208 6PX 0.56672 -0.42488 -0.37025 -1.35627 1.25655
|
|
209 6PY -0.06582 0.60883 0.20769 -0.36456 -0.09688
|
|
210 6PZ 0.12525 -0.55234 -0.47518 -0.61802 -0.75526
|
|
211 7PX 0.86523 -1.06791 -0.75411 -1.39020 1.46392
|
|
212 7PY -0.34926 0.70637 0.51981 -0.04784 -0.75159
|
|
213 7PZ -0.27688 0.11540 -0.07359 0.16186 -0.89326
|
|
214 8D 0 0.01358 -0.01310 0.05994 -0.01421 0.01536
|
|
215 8D+1 0.00541 0.00956 -0.01947 -0.00081 -0.02421
|
|
216 8D-1 -0.01485 0.01173 -0.01784 0.02400 -0.00006
|
|
217 8D+2 0.00942 -0.05538 -0.01819 -0.01900 -0.01447
|
|
218 8D-2 0.00697 0.00720 0.04477 -0.03094 0.00818
|
|
219 9D 0 0.13715 -0.28687 -0.53668 -0.38338 0.14467
|
|
220 9D+1 0.03118 0.34805 0.23102 0.27683 0.76768
|
|
221 9D-1 0.10650 0.00941 0.12816 -0.35877 -0.17193
|
|
222 9D+2 -0.31475 0.24842 0.34754 0.91904 -0.45386
|
|
223 9D-2 0.23685 -0.83858 -0.38130 0.18260 0.28870
|
|
224 10F 0 0.06387 0.03437 0.01477 0.06388 0.05933
|
|
225 10F+1 -0.04079 0.03933 -0.01773 0.07380 -0.03386
|
|
226 10F-1 -0.00647 -0.00496 -0.01177 0.02685 -0.01326
|
|
227 10F+2 0.02060 -0.05932 0.00432 0.01011 -0.02642
|
|
228 10F-2 -0.00552 -0.00513 0.02480 0.01565 0.01841
|
|
229 10F+3 0.00585 0.05538 -0.02433 -0.05306 0.08273
|
|
230 10F-3 -0.02974 0.06112 -0.00244 0.01941 -0.06203
|
|
111 112 113 114 115
|
|
V V V V V
|
|
Eigenvalues -- 4.67469 4.69293 4.73992 4.89539 4.90461
|
|
1 1 N 1S 0.00473 -0.00918 0.01582 -0.01478 0.01421
|
|
2 2S -0.01081 0.08714 -0.10508 0.11745 -0.10319
|
|
3 3S 0.11721 1.63344 -1.68070 1.90162 -1.86542
|
|
4 4S -0.77886 -6.16295 5.67719 -6.62371 6.48486
|
|
5 5S -1.16300 -3.98417 2.90621 -3.83806 4.59039
|
|
6 6PX -0.01189 -0.02842 -0.03339 0.03116 -0.01023
|
|
7 6PY 0.00917 -0.04334 0.04019 -0.00135 0.01995
|
|
8 6PZ 0.00055 -0.02698 -0.03003 -0.00103 0.03311
|
|
9 7PX -0.11457 -0.14208 -0.20423 0.16428 -0.04169
|
|
10 7PY 0.08784 -0.18452 0.36728 -0.02699 0.07007
|
|
11 7PZ -0.12494 -0.13255 -0.09615 0.02982 0.11382
|
|
12 8PX -1.12989 -0.39476 -3.66561 3.62322 0.42187
|
|
13 8PY -0.80979 -1.99255 -1.11820 -1.83366 1.08687
|
|
14 8PZ -1.64102 -3.86996 -1.40770 0.52047 3.22690
|
|
15 9PX -0.59602 0.24625 -0.91597 1.11623 -0.19678
|
|
16 9PY -0.13361 -0.01889 -0.34165 -0.24729 -0.00814
|
|
17 9PZ -1.10885 -0.98066 -0.25452 -0.16997 1.02973
|
|
18 10D 0 0.01430 0.04381 0.03298 -0.01229 -0.03643
|
|
19 10D+1 0.00583 0.03560 -0.02468 0.02756 -0.02388
|
|
20 10D-1 -0.00210 0.04432 0.00538 0.00034 -0.01741
|
|
21 10D+2 -0.01145 0.01298 -0.03701 0.04744 0.00374
|
|
22 10D-2 -0.02443 -0.00683 0.03380 -0.01340 -0.01261
|
|
23 11D 0 -0.78900 -1.09495 -0.64065 0.70160 0.99886
|
|
24 11D+1 -0.11386 -0.90328 0.76374 -0.69520 0.76046
|
|
25 11D-1 -0.03000 -0.83477 -0.51584 0.06509 0.86440
|
|
26 11D+2 0.48379 -0.11064 1.00328 -1.14897 0.22216
|
|
27 11D-2 0.42089 -0.35470 -0.66387 0.73731 0.33961
|
|
28 12D 0 -1.00096 -0.51809 -0.28213 0.75208 1.15470
|
|
29 12D+1 -0.03224 -1.03396 0.97463 -0.92287 0.98886
|
|
30 12D-1 0.25997 -0.74046 -1.19438 0.22199 1.47951
|
|
31 12D+2 0.52179 0.13234 0.57954 -1.08127 0.17533
|
|
32 12D-2 0.95297 -0.95844 -0.32373 1.12955 0.82038
|
|
33 13F 0 0.03375 -0.02277 -0.00806 -0.00628 -0.01219
|
|
34 13F+1 0.00063 -0.00036 0.00230 -0.00001 0.01512
|
|
35 13F-1 -0.03585 -0.00283 0.01282 0.00978 -0.00148
|
|
36 13F+2 0.03382 -0.01146 -0.01127 0.01438 -0.00631
|
|
37 13F-2 0.00210 0.01450 -0.00214 0.01580 0.00057
|
|
38 13F+3 0.02726 0.01601 -0.01777 -0.00819 0.01472
|
|
39 13F-3 0.03689 0.01887 0.00517 0.00597 0.03054
|
|
40 14F 0 -0.93634 -0.37478 0.58966 -0.11395 1.06423
|
|
41 14F+1 0.03348 -0.65804 0.55150 -0.94280 0.29442
|
|
42 14F-1 0.58983 -0.72581 -0.67479 0.19140 1.05523
|
|
43 14F+2 -0.67263 0.27856 -0.13503 0.03369 -0.31914
|
|
44 14F-2 -0.10093 -0.74951 0.34550 -0.59756 0.37038
|
|
45 14F+3 -0.79673 -0.13358 -0.28462 0.82446 -0.46474
|
|
46 14F-3 -0.89077 -0.13186 0.68826 -0.82740 -0.58771
|
|
47 15G 0 -0.04912 -0.00015 0.04270 -0.00796 0.00994
|
|
48 15G+1 -0.01234 -0.01864 -0.01937 0.01275 0.00898
|
|
49 15G-1 0.00060 -0.01483 -0.00705 -0.01491 0.07470
|
|
50 15G+2 -0.04090 0.04233 0.01609 0.03948 -0.02279
|
|
51 15G-2 -0.01952 -0.04692 0.00168 -0.01776 -0.00053
|
|
52 15G+3 0.01328 0.01696 0.00590 0.00080 -0.00692
|
|
53 15G-3 -0.00008 0.01204 -0.03507 -0.00153 0.01195
|
|
54 15G+4 0.05344 0.03204 0.01528 0.01280 0.04296
|
|
55 15G-4 -0.01599 0.00860 -0.02257 0.06332 -0.01888
|
|
56 2 N 1S -0.00473 -0.00918 -0.01582 -0.01478 -0.01421
|
|
57 2S 0.01081 0.08714 0.10508 0.11745 0.10319
|
|
58 3S -0.11721 1.63344 1.68070 1.90162 1.86542
|
|
59 4S 0.77886 -6.16295 -5.67719 -6.62371 -6.48486
|
|
60 5S 1.16300 -3.98417 -2.90621 -3.83806 -4.59039
|
|
61 6PX -0.01189 0.02842 -0.03339 -0.03116 -0.01023
|
|
62 6PY 0.00917 0.04334 0.04019 0.00135 0.01995
|
|
63 6PZ -0.00055 -0.02698 0.03003 -0.00103 -0.03311
|
|
64 7PX -0.11457 0.14208 -0.20423 -0.16428 -0.04169
|
|
65 7PY 0.08784 0.18452 0.36728 0.02699 0.07007
|
|
66 7PZ 0.12494 -0.13255 0.09615 0.02982 -0.11382
|
|
67 8PX -1.12989 0.39476 -3.66561 -3.62322 0.42187
|
|
68 8PY -0.80979 1.99255 -1.11820 1.83366 1.08687
|
|
69 8PZ 1.64102 -3.86996 1.40770 0.52047 -3.22690
|
|
70 9PX -0.59602 -0.24625 -0.91597 -1.11623 -0.19678
|
|
71 9PY -0.13361 0.01889 -0.34165 0.24729 -0.00814
|
|
72 9PZ 1.10885 -0.98066 0.25452 -0.16997 -1.02973
|
|
73 10D 0 -0.01430 0.04381 -0.03298 -0.01229 0.03643
|
|
74 10D+1 0.00583 -0.03560 -0.02468 -0.02756 -0.02388
|
|
75 10D-1 -0.00210 -0.04432 0.00538 -0.00034 -0.01741
|
|
76 10D+2 0.01145 0.01298 0.03701 0.04744 -0.00374
|
|
77 10D-2 0.02443 -0.00683 -0.03380 -0.01340 0.01261
|
|
78 11D 0 0.78900 -1.09495 0.64065 0.70160 -0.99886
|
|
79 11D+1 -0.11386 0.90328 0.76374 0.69520 0.76046
|
|
80 11D-1 -0.03000 0.83477 -0.51584 -0.06509 0.86440
|
|
81 11D+2 -0.48379 -0.11064 -1.00328 -1.14897 -0.22216
|
|
82 11D-2 -0.42089 -0.35470 0.66387 0.73731 -0.33961
|
|
83 12D 0 1.00096 -0.51809 0.28213 0.75208 -1.15470
|
|
84 12D+1 -0.03224 1.03396 0.97463 0.92287 0.98886
|
|
85 12D-1 0.25997 0.74046 -1.19438 -0.22199 1.47951
|
|
86 12D+2 -0.52179 0.13234 -0.57954 -1.08127 -0.17533
|
|
87 12D-2 -0.95297 -0.95844 0.32373 1.12955 -0.82038
|
|
88 13F 0 -0.03375 -0.02277 0.00806 -0.00628 0.01219
|
|
89 13F+1 0.00063 0.00036 0.00230 0.00001 0.01512
|
|
90 13F-1 -0.03585 0.00283 0.01282 -0.00978 -0.00148
|
|
91 13F+2 -0.03382 -0.01146 0.01127 0.01438 0.00631
|
|
92 13F-2 -0.00210 0.01450 0.00214 0.01580 -0.00057
|
|
93 13F+3 0.02726 -0.01601 -0.01777 0.00819 0.01472
|
|
94 13F-3 0.03689 -0.01887 0.00517 -0.00597 0.03054
|
|
95 14F 0 0.93634 -0.37478 -0.58966 -0.11395 -1.06423
|
|
96 14F+1 0.03348 0.65804 0.55150 0.94280 0.29442
|
|
97 14F-1 0.58983 0.72581 -0.67479 -0.19140 1.05523
|
|
98 14F+2 0.67263 0.27856 0.13503 0.03369 0.31914
|
|
99 14F-2 0.10093 -0.74951 -0.34550 -0.59756 -0.37038
|
|
100 14F+3 -0.79673 0.13358 -0.28462 -0.82446 -0.46474
|
|
101 14F-3 -0.89077 0.13186 0.68826 0.82740 -0.58771
|
|
102 15G 0 0.04912 -0.00015 -0.04270 -0.00796 -0.00994
|
|
103 15G+1 -0.01234 0.01864 -0.01937 -0.01275 0.00898
|
|
104 15G-1 0.00060 0.01483 -0.00705 0.01491 0.07470
|
|
105 15G+2 0.04090 0.04233 -0.01609 0.03948 0.02279
|
|
106 15G-2 0.01952 -0.04692 -0.00168 -0.01776 0.00053
|
|
107 15G+3 0.01328 -0.01696 0.00590 -0.00080 -0.00692
|
|
108 15G-3 -0.00008 -0.01204 -0.03507 0.00153 0.01195
|
|
109 15G+4 -0.05344 0.03204 -0.01528 0.01280 -0.04296
|
|
110 15G-4 0.01599 0.00860 0.02257 0.06332 0.01888
|
|
111 3 H 1S 0.04981 0.05159 0.01123 -0.02414 -0.04246
|
|
112 2S 0.36711 2.43360 0.20297 0.33014 -2.89080
|
|
113 3S 3.15285 6.68875 1.12116 0.99162 -6.09585
|
|
114 4S 0.22852 0.14150 0.02050 0.19456 -0.07859
|
|
115 5PX 0.03158 0.00784 0.05541 -0.06533 -0.05432
|
|
116 5PY 0.12267 0.07967 -0.04884 -0.01279 -0.08178
|
|
117 5PZ 0.05578 0.21323 0.06440 -0.02206 -0.19055
|
|
118 6PX -0.35079 -0.14064 -0.63371 0.68362 0.61644
|
|
119 6PY -1.26636 -0.80203 0.71972 -0.14032 0.92537
|
|
120 6PZ -0.40146 -2.64874 -0.50462 -0.35296 2.34540
|
|
121 7PX -0.37646 -0.30953 -0.31738 0.24047 0.57347
|
|
122 7PY -0.90430 -0.97088 0.29188 -0.30767 0.71776
|
|
123 7PZ -0.76177 -2.35954 -0.63133 -0.24964 1.91065
|
|
124 8D 0 0.02167 0.06585 -0.01009 0.01305 -0.07293
|
|
125 8D+1 -0.01441 0.05540 -0.03000 0.03666 -0.06042
|
|
126 8D-1 -0.00073 0.05486 0.02537 0.01005 -0.06275
|
|
127 8D+2 -0.01246 -0.00008 -0.03574 -0.00079 0.00188
|
|
128 8D-2 -0.01745 0.01091 0.00174 0.01695 -0.02047
|
|
129 9D 0 -0.24134 1.00675 0.39531 0.17455 -0.57484
|
|
130 9D+1 0.19615 0.05270 0.52213 -0.51344 -0.33795
|
|
131 9D-1 0.83984 0.54256 -0.39326 0.11238 -0.42744
|
|
132 9D+2 -0.21225 -0.12426 0.44719 -0.19100 0.07425
|
|
133 9D-2 0.27944 0.04237 -0.06807 -0.20587 -0.24810
|
|
134 10F 0 0.02675 -0.12848 -0.02553 -0.03861 0.06700
|
|
135 10F+1 -0.00361 -0.07408 -0.01862 0.00858 0.09501
|
|
136 10F-1 -0.07304 -0.11769 0.00811 -0.01178 0.10945
|
|
137 10F+2 0.08974 0.03699 -0.04088 0.03948 -0.01967
|
|
138 10F-2 -0.04003 -0.02462 -0.00175 0.02438 0.03795
|
|
139 10F+3 -0.01526 -0.01549 -0.01500 0.05139 -0.04359
|
|
140 10F-3 -0.01124 -0.02709 0.01980 -0.04036 0.01087
|
|
141 4 H 1S -0.03835 -0.01783 -0.04870 0.04694 -0.00560
|
|
142 2S 0.01002 0.36242 -2.19048 2.90892 -0.20057
|
|
143 3S -1.63324 1.11485 -5.65879 6.68062 -1.24874
|
|
144 4S -0.14678 0.15642 -0.15155 0.07194 -0.15308
|
|
145 5PX 0.02964 0.02105 0.19860 -0.21077 -0.00124
|
|
146 5PY -0.13219 -0.00837 -0.04148 0.07034 -0.07828
|
|
147 5PZ 0.01947 0.04107 0.01309 -0.06032 -0.04976
|
|
148 6PX -0.00833 0.32523 -2.40264 2.60636 -0.22204
|
|
149 6PY 1.37139 -0.17012 0.67189 -0.64719 0.96560
|
|
150 6PZ -0.23959 -0.35610 -0.14077 0.73955 0.58640
|
|
151 7PX -0.34386 0.18721 -2.07101 2.20442 -0.23830
|
|
152 7PY 1.04693 -0.43893 0.93113 -0.59884 0.65795
|
|
153 7PZ -0.11896 -0.04813 -0.13375 0.64501 0.14568
|
|
154 8D 0 0.00305 0.00872 0.01866 -0.05461 -0.00919
|
|
155 8D+1 0.01289 0.03681 -0.05956 0.04395 -0.03081
|
|
156 8D-1 -0.02370 0.00269 0.00934 0.00312 0.00199
|
|
157 8D+2 -0.02794 0.03763 -0.07512 0.07152 -0.03378
|
|
158 8D-2 -0.02082 0.01278 0.03086 -0.06720 -0.01597
|
|
159 9D 0 0.08412 -0.26049 0.62408 -0.33872 0.26493
|
|
160 9D+1 -0.12977 -0.30059 -0.03588 0.46759 0.44730
|
|
161 9D-1 0.31367 -0.05076 0.08493 -0.23754 0.03261
|
|
162 9D+2 0.49070 -0.07260 -0.61556 0.67922 0.25546
|
|
163 9D-2 1.03361 -0.11895 0.58342 -0.24374 0.66250
|
|
164 10F 0 -0.03662 0.00723 0.04800 -0.07366 0.02583
|
|
165 10F+1 0.02647 -0.02344 0.07905 -0.09738 0.05650
|
|
166 10F-1 -0.04003 -0.05910 0.00026 -0.00715 -0.00903
|
|
167 10F+2 -0.03547 0.01393 -0.05672 0.06693 0.03777
|
|
168 10F-2 0.03798 -0.00218 0.01296 -0.02851 0.00234
|
|
169 10F+3 0.06576 0.04033 -0.12068 0.05240 0.04497
|
|
170 10F-3 0.07618 -0.00840 0.11736 -0.10286 0.04170
|
|
171 5 H 1S -0.04981 0.05159 -0.01123 -0.02414 0.04246
|
|
172 2S -0.36711 2.43360 -0.20297 0.33014 2.89080
|
|
173 3S -3.15285 6.68875 -1.12116 0.99162 6.09585
|
|
174 4S -0.22852 0.14150 -0.02050 0.19456 0.07859
|
|
175 5PX 0.03158 -0.00784 0.05541 0.06533 -0.05432
|
|
176 5PY 0.12267 -0.07967 -0.04884 0.01279 -0.08178
|
|
177 5PZ -0.05578 0.21323 -0.06440 -0.02206 0.19055
|
|
178 6PX -0.35079 0.14064 -0.63371 -0.68362 0.61644
|
|
179 6PY -1.26636 0.80203 0.71972 0.14032 0.92537
|
|
180 6PZ 0.40146 -2.64874 0.50462 -0.35296 -2.34540
|
|
181 7PX -0.37646 0.30953 -0.31738 -0.24047 0.57347
|
|
182 7PY -0.90430 0.97088 0.29188 0.30767 0.71776
|
|
183 7PZ 0.76177 -2.35954 0.63133 -0.24964 -1.91065
|
|
184 8D 0 -0.02167 0.06585 0.01009 0.01305 0.07293
|
|
185 8D+1 -0.01441 -0.05540 -0.03000 -0.03666 -0.06042
|
|
186 8D-1 -0.00073 -0.05486 0.02537 -0.01005 -0.06275
|
|
187 8D+2 0.01246 -0.00008 0.03574 -0.00079 -0.00188
|
|
188 8D-2 0.01745 0.01091 -0.00174 0.01695 0.02047
|
|
189 9D 0 0.24134 1.00675 -0.39531 0.17455 0.57484
|
|
190 9D+1 0.19615 -0.05270 0.52213 0.51344 -0.33795
|
|
191 9D-1 0.83984 -0.54256 -0.39326 -0.11238 -0.42744
|
|
192 9D+2 0.21225 -0.12426 -0.44719 -0.19100 -0.07425
|
|
193 9D-2 -0.27944 0.04237 0.06807 -0.20587 0.24810
|
|
194 10F 0 -0.02675 -0.12848 0.02553 -0.03861 -0.06700
|
|
195 10F+1 -0.00361 0.07408 -0.01862 -0.00858 0.09501
|
|
196 10F-1 -0.07304 0.11769 0.00811 0.01178 0.10945
|
|
197 10F+2 -0.08974 0.03699 0.04088 0.03948 0.01967
|
|
198 10F-2 0.04003 -0.02462 0.00175 0.02438 -0.03795
|
|
199 10F+3 -0.01526 0.01549 -0.01500 -0.05139 -0.04359
|
|
200 10F-3 -0.01124 0.02709 0.01980 0.04036 0.01087
|
|
201 6 H 1S 0.03835 -0.01783 0.04870 0.04694 0.00560
|
|
202 2S -0.01002 0.36242 2.19048 2.90892 0.20057
|
|
203 3S 1.63324 1.11485 5.65879 6.68062 1.24874
|
|
204 4S 0.14678 0.15642 0.15155 0.07194 0.15308
|
|
205 5PX 0.02964 -0.02105 0.19860 0.21077 -0.00124
|
|
206 5PY -0.13219 0.00837 -0.04148 -0.07034 -0.07828
|
|
207 5PZ -0.01947 0.04107 -0.01309 -0.06032 0.04976
|
|
208 6PX -0.00833 -0.32523 -2.40264 -2.60636 -0.22204
|
|
209 6PY 1.37139 0.17012 0.67189 0.64719 0.96560
|
|
210 6PZ 0.23959 -0.35610 0.14077 0.73955 -0.58640
|
|
211 7PX -0.34386 -0.18721 -2.07101 -2.20442 -0.23830
|
|
212 7PY 1.04693 0.43893 0.93113 0.59884 0.65795
|
|
213 7PZ 0.11896 -0.04813 0.13375 0.64501 -0.14568
|
|
214 8D 0 -0.00305 0.00872 -0.01866 -0.05461 0.00919
|
|
215 8D+1 0.01289 -0.03681 -0.05956 -0.04395 -0.03081
|
|
216 8D-1 -0.02370 -0.00269 0.00934 -0.00312 0.00199
|
|
217 8D+2 0.02794 0.03763 0.07512 0.07152 0.03378
|
|
218 8D-2 0.02082 0.01278 -0.03086 -0.06720 0.01597
|
|
219 9D 0 -0.08412 -0.26049 -0.62408 -0.33872 -0.26493
|
|
220 9D+1 -0.12977 0.30059 -0.03588 -0.46759 0.44730
|
|
221 9D-1 0.31367 0.05076 0.08493 0.23754 0.03261
|
|
222 9D+2 -0.49070 -0.07260 0.61556 0.67922 -0.25546
|
|
223 9D-2 -1.03361 -0.11895 -0.58342 -0.24374 -0.66250
|
|
224 10F 0 0.03662 0.00723 -0.04800 -0.07366 -0.02583
|
|
225 10F+1 0.02647 0.02344 0.07905 0.09738 0.05650
|
|
226 10F-1 -0.04003 0.05910 0.00026 0.00715 -0.00903
|
|
227 10F+2 0.03547 0.01393 0.05672 0.06693 -0.03777
|
|
228 10F-2 -0.03798 -0.00218 -0.01296 -0.02851 -0.00234
|
|
229 10F+3 0.06576 -0.04033 -0.12068 -0.05240 0.04497
|
|
230 10F-3 0.07618 0.00840 0.11736 0.10286 0.04170
|
|
116 117 118 119 120
|
|
V V V V V
|
|
Eigenvalues -- 5.49367 6.03565 6.06449 6.07906 6.20832
|
|
1 1 N 1S 0.03685 0.02056 0.00891 0.00948 0.00407
|
|
2 2S -0.25758 -0.06876 -0.03940 -0.02362 -0.06020
|
|
3 3S -3.03257 -0.74965 -0.47248 -0.23707 -1.01933
|
|
4 4S 6.67038 1.59658 0.96058 0.37038 3.04915
|
|
5 5S 5.07745 0.45174 -0.09129 -0.18788 2.66201
|
|
6 6PX -0.00532 -0.03469 -0.03523 0.00504 -0.02965
|
|
7 6PY 0.00004 0.11384 0.01076 0.07141 -0.06525
|
|
8 6PZ 0.00922 0.02499 0.01715 -0.00969 0.04804
|
|
9 7PX -0.04754 0.03737 0.03220 -0.00487 0.02220
|
|
10 7PY 1.02552 -0.02084 0.07563 -0.01420 0.22035
|
|
11 7PZ 0.05439 -0.02808 0.01052 0.03383 -0.00514
|
|
12 8PX 0.12063 -0.57506 -0.26883 0.08866 -0.34857
|
|
13 8PY -6.38258 0.41246 -0.54781 0.21353 -1.16791
|
|
14 8PZ 0.48262 0.17953 0.01697 -0.12396 0.50277
|
|
15 9PX 0.09839 0.00628 -0.01815 0.15583 -0.11478
|
|
16 9PY -2.07786 0.10651 0.11579 -0.14900 -0.77390
|
|
17 9PZ 0.03729 -0.04508 -0.14811 -0.11508 -0.07547
|
|
18 10D 0 -0.01925 -0.00316 -0.00164 -0.00408 -0.01834
|
|
19 10D+1 -0.01126 0.02414 0.00344 0.00603 0.00722
|
|
20 10D-1 -0.00217 -0.01538 0.02024 0.02137 -0.00780
|
|
21 10D+2 -0.03011 -0.00294 0.00435 -0.00886 -0.01034
|
|
22 10D-2 0.00155 -0.00758 0.02705 0.02154 0.00579
|
|
23 11D 0 -0.45528 0.00101 0.02195 0.06490 -0.16019
|
|
24 11D+1 0.12345 0.06567 -0.02884 0.07337 0.03201
|
|
25 11D-1 0.11053 0.03624 0.03972 0.11154 0.09969
|
|
26 11D+2 -1.00033 0.18632 0.01087 0.02193 -0.24479
|
|
27 11D-2 0.02118 -0.13243 0.07805 0.00738 -0.08066
|
|
28 12D 0 -1.12421 -0.00745 -0.01565 -0.07248 -0.63147
|
|
29 12D+1 0.03246 0.39991 0.08210 0.54232 0.09697
|
|
30 12D-1 0.25505 0.10301 0.27148 -0.10341 0.33292
|
|
31 12D+2 -2.22317 0.18059 0.04190 -0.04337 -0.72841
|
|
32 12D-2 0.06351 -0.28221 0.01953 0.23649 -0.06967
|
|
33 13F 0 0.00227 0.03656 0.00733 -0.03036 0.01119
|
|
34 13F+1 0.01095 0.00625 0.00538 -0.00303 -0.00175
|
|
35 13F-1 -0.05185 0.01385 0.00074 0.02417 -0.00269
|
|
36 13F+2 -0.01690 0.01794 -0.01169 -0.03974 0.00077
|
|
37 13F-2 0.00702 0.00976 -0.01283 -0.00845 0.02778
|
|
38 13F+3 0.00417 -0.01363 -0.05459 -0.01217 -0.03272
|
|
39 13F-3 -0.07039 0.02115 -0.01499 0.01451 -0.01126
|
|
40 14F 0 0.17528 0.19490 0.20482 -0.02758 -0.27378
|
|
41 14F+1 0.04000 0.15444 0.11084 0.19550 0.11620
|
|
42 14F-1 0.88559 0.14362 0.15447 0.06288 0.50469
|
|
43 14F+2 -0.01806 -0.13348 0.19975 -0.11233 -0.29345
|
|
44 14F-2 0.05008 -0.00796 -0.06887 0.16318 0.03525
|
|
45 14F+3 -0.07508 -0.20791 -0.18961 0.19306 -0.02646
|
|
46 14F-3 0.90289 0.21921 0.02396 0.08149 0.44484
|
|
47 15G 0 0.01814 0.01309 0.03363 -0.02449 0.02336
|
|
48 15G+1 0.01003 0.01385 0.00081 -0.04777 -0.10368
|
|
49 15G-1 0.01624 -0.01330 -0.00487 0.07640 -0.01317
|
|
50 15G+2 -0.00856 0.03654 -0.05585 0.05941 0.03124
|
|
51 15G-2 -0.01542 0.08308 0.09953 0.02061 0.08273
|
|
52 15G+3 0.00171 0.00071 0.09533 -0.08541 -0.13629
|
|
53 15G-3 0.01318 -0.13259 -0.00584 0.05264 -0.00342
|
|
54 15G+4 0.01379 0.03843 0.00041 0.04497 0.05405
|
|
55 15G-4 -0.02219 -0.03305 0.09909 -0.02263 0.04754
|
|
56 2 N 1S -0.03685 0.02056 -0.00891 0.00948 -0.00407
|
|
57 2S 0.25758 -0.06876 0.03940 -0.02362 0.06020
|
|
58 3S 3.03257 -0.74965 0.47248 -0.23707 1.01933
|
|
59 4S -6.67038 1.59658 -0.96058 0.37038 -3.04915
|
|
60 5S -5.07745 0.45174 0.09129 -0.18788 -2.66201
|
|
61 6PX -0.00532 0.03469 -0.03523 -0.00504 -0.02965
|
|
62 6PY 0.00004 -0.11384 0.01076 -0.07141 -0.06525
|
|
63 6PZ -0.00922 0.02499 -0.01715 -0.00969 -0.04804
|
|
64 7PX -0.04754 -0.03737 0.03220 0.00487 0.02220
|
|
65 7PY 1.02552 0.02084 0.07563 0.01420 0.22035
|
|
66 7PZ -0.05439 -0.02808 -0.01052 0.03383 0.00514
|
|
67 8PX 0.12063 0.57506 -0.26883 -0.08866 -0.34857
|
|
68 8PY -6.38258 -0.41246 -0.54781 -0.21353 -1.16791
|
|
69 8PZ -0.48262 0.17953 -0.01697 -0.12396 -0.50277
|
|
70 9PX 0.09839 -0.00628 -0.01815 -0.15583 -0.11478
|
|
71 9PY -2.07786 -0.10651 0.11579 0.14900 -0.77390
|
|
72 9PZ -0.03729 -0.04508 0.14811 -0.11508 0.07547
|
|
73 10D 0 0.01925 -0.00316 0.00164 -0.00408 0.01834
|
|
74 10D+1 -0.01126 -0.02414 0.00344 -0.00603 0.00722
|
|
75 10D-1 -0.00217 0.01538 0.02024 -0.02137 -0.00780
|
|
76 10D+2 0.03011 -0.00294 -0.00435 -0.00886 0.01034
|
|
77 10D-2 -0.00155 -0.00758 -0.02705 0.02154 -0.00579
|
|
78 11D 0 0.45528 0.00101 -0.02195 0.06490 0.16019
|
|
79 11D+1 0.12345 -0.06567 -0.02884 -0.07337 0.03201
|
|
80 11D-1 0.11053 -0.03624 0.03972 -0.11154 0.09969
|
|
81 11D+2 1.00033 0.18632 -0.01087 0.02193 0.24479
|
|
82 11D-2 -0.02118 -0.13243 -0.07805 0.00738 0.08066
|
|
83 12D 0 1.12421 -0.00745 0.01565 -0.07248 0.63147
|
|
84 12D+1 0.03246 -0.39991 0.08210 -0.54232 0.09697
|
|
85 12D-1 0.25505 -0.10301 0.27148 0.10341 0.33292
|
|
86 12D+2 2.22317 0.18059 -0.04190 -0.04337 0.72841
|
|
87 12D-2 -0.06351 -0.28221 -0.01953 0.23649 0.06967
|
|
88 13F 0 -0.00227 0.03656 -0.00733 -0.03036 -0.01119
|
|
89 13F+1 0.01095 -0.00625 0.00538 0.00303 -0.00175
|
|
90 13F-1 -0.05185 -0.01385 0.00074 -0.02417 -0.00269
|
|
91 13F+2 0.01690 0.01794 0.01169 -0.03974 -0.00077
|
|
92 13F-2 -0.00702 0.00976 0.01283 -0.00845 -0.02778
|
|
93 13F+3 0.00417 0.01363 -0.05459 0.01217 -0.03272
|
|
94 13F-3 -0.07039 -0.02115 -0.01499 -0.01451 -0.01126
|
|
95 14F 0 -0.17528 0.19490 -0.20482 -0.02758 0.27378
|
|
96 14F+1 0.04000 -0.15444 0.11084 -0.19550 0.11620
|
|
97 14F-1 0.88559 -0.14362 0.15447 -0.06288 0.50469
|
|
98 14F+2 0.01806 -0.13348 -0.19975 -0.11233 0.29345
|
|
99 14F-2 -0.05008 -0.00796 0.06887 0.16318 -0.03525
|
|
100 14F+3 -0.07508 0.20791 -0.18961 -0.19306 -0.02646
|
|
101 14F-3 0.90289 -0.21921 0.02396 -0.08149 0.44484
|
|
102 15G 0 -0.01814 0.01309 -0.03363 -0.02449 -0.02336
|
|
103 15G+1 0.01003 -0.01385 0.00081 0.04777 -0.10368
|
|
104 15G-1 0.01624 0.01330 -0.00487 -0.07640 -0.01317
|
|
105 15G+2 0.00856 0.03654 0.05585 0.05941 -0.03124
|
|
106 15G-2 0.01542 0.08308 -0.09953 0.02061 -0.08273
|
|
107 15G+3 0.00171 -0.00071 0.09533 0.08541 -0.13629
|
|
108 15G-3 0.01318 0.13259 -0.00584 -0.05264 -0.00342
|
|
109 15G+4 -0.01379 0.03843 -0.00041 0.04497 -0.05405
|
|
110 15G-4 0.02219 -0.03305 -0.09909 -0.02263 -0.04754
|
|
111 3 H 1S 0.00896 -0.00762 0.00335 0.00084 -0.01542
|
|
112 2S -0.49752 -0.47550 -0.34894 -0.28619 -0.27391
|
|
113 3S -0.60539 -0.21734 0.16125 0.08656 -0.87613
|
|
114 4S 0.12218 -0.00083 0.02859 0.04366 0.06282
|
|
115 5PX 0.01028 -0.01645 -0.02200 -0.04260 -0.02739
|
|
116 5PY 0.04281 -0.02845 0.00425 0.02937 0.00989
|
|
117 5PZ 0.00789 -0.05348 -0.04858 -0.05496 -0.03251
|
|
118 6PX 0.14270 0.07400 0.06220 -0.11785 0.07406
|
|
119 6PY 0.12042 0.16173 0.18212 -0.02786 -0.25470
|
|
120 6PZ 0.37328 0.24181 0.11427 0.25882 0.45891
|
|
121 7PX 0.06495 -0.09148 -0.06578 -0.31443 0.09652
|
|
122 7PY 0.05806 -0.06646 -0.07250 0.02540 -0.01595
|
|
123 7PZ 0.12960 0.04808 -0.10706 0.00469 0.40252
|
|
124 8D 0 -0.02597 -0.04509 -0.01703 0.01865 0.02664
|
|
125 8D+1 -0.01427 -0.01397 -0.00672 0.00492 -0.02277
|
|
126 8D-1 -0.04903 0.00358 -0.00092 -0.03397 -0.06217
|
|
127 8D+2 0.00868 -0.02716 0.00521 0.01624 0.03418
|
|
128 8D-2 -0.00920 0.01165 0.01637 -0.01774 0.01010
|
|
129 9D 0 -0.01609 0.00615 0.08302 -0.11885 -0.26623
|
|
130 9D+1 -0.06693 0.00540 0.02331 0.16316 -0.07803
|
|
131 9D-1 -0.06559 -0.00137 -0.06839 0.00251 0.12634
|
|
132 9D+2 0.01510 0.01337 0.00035 0.03550 -0.08081
|
|
133 9D-2 -0.04025 0.03474 -0.00815 0.08304 0.06640
|
|
134 10F 0 0.02220 0.02005 -0.00081 -0.02994 -0.05863
|
|
135 10F+1 0.03744 -0.04819 -0.00963 0.01784 0.06455
|
|
136 10F-1 0.10799 0.02339 -0.09786 0.02231 0.10217
|
|
137 10F+2 -0.05623 0.23648 -0.20572 0.10050 0.11787
|
|
138 10F-2 0.00042 0.15524 0.22250 -0.08846 0.01109
|
|
139 10F+3 -0.04118 0.16668 0.45198 -0.24986 0.20908
|
|
140 10F-3 0.13941 -0.30830 0.09223 -0.17871 -0.30664
|
|
141 4 H 1S 0.01266 0.00753 -0.00643 -0.01584 -0.01748
|
|
142 2S -0.16402 -0.73316 -0.15728 -0.14735 -0.30300
|
|
143 3S 0.29923 -0.73613 -0.22374 0.07497 -0.67633
|
|
144 4S 0.10444 -0.02513 -0.02406 0.01628 0.00842
|
|
145 5PX -0.04930 0.09185 -0.00064 0.00488 0.04884
|
|
146 5PY 0.03941 -0.01779 -0.04774 -0.02212 0.00107
|
|
147 5PZ -0.02748 0.04425 0.01134 0.02820 0.02174
|
|
148 6PX -0.08318 -0.48863 -0.00820 -0.10996 -0.30850
|
|
149 6PY 0.08819 0.14377 0.27404 -0.03906 0.00919
|
|
150 6PZ 0.03359 -0.06688 -0.11835 0.09875 -0.14669
|
|
151 7PX 0.20492 -0.24132 -0.08044 -0.02766 -0.16166
|
|
152 7PY -0.02410 0.03650 0.04223 0.01181 0.03452
|
|
153 7PZ 0.02724 0.04862 -0.01218 0.21277 -0.04072
|
|
154 8D 0 0.00675 0.02994 -0.00158 -0.01111 0.01297
|
|
155 8D+1 -0.02243 -0.02481 0.00140 -0.00949 -0.01266
|
|
156 8D-1 0.00818 0.00047 -0.02479 0.00997 -0.01024
|
|
157 8D+2 -0.04105 -0.01895 -0.06418 -0.02822 0.00138
|
|
158 8D-2 0.02643 0.00748 -0.03998 -0.00100 0.02359
|
|
159 9D 0 -0.00749 0.02847 -0.00349 0.07555 0.02950
|
|
160 9D+1 0.03832 0.02621 -0.05795 0.10983 -0.07819
|
|
161 9D-1 0.00226 -0.03627 0.03143 -0.03894 -0.01766
|
|
162 9D+2 0.08923 -0.06171 0.10332 -0.04583 -0.05480
|
|
163 9D-2 0.03752 0.04280 0.12902 -0.06876 -0.00343
|
|
164 10F 0 0.02484 -0.16937 -0.18249 0.33927 0.25087
|
|
165 10F+1 0.05367 -0.03582 -0.06648 -0.15539 -0.26857
|
|
166 10F-1 0.08994 -0.29507 -0.04318 -0.25493 -0.18870
|
|
167 10F+2 -0.02236 -0.15901 -0.06953 0.25113 0.11364
|
|
168 10F-2 0.01063 0.11914 0.16593 -0.10887 -0.12691
|
|
169 10F+3 -0.02193 -0.03242 -0.08733 -0.16384 -0.12563
|
|
170 10F-3 0.10942 -0.16623 -0.01560 -0.03372 0.08062
|
|
171 5 H 1S -0.00896 -0.00762 -0.00335 0.00084 0.01542
|
|
172 2S 0.49752 -0.47550 0.34894 -0.28619 0.27391
|
|
173 3S 0.60539 -0.21734 -0.16125 0.08656 0.87613
|
|
174 4S -0.12218 -0.00083 -0.02859 0.04366 -0.06282
|
|
175 5PX 0.01028 0.01645 -0.02200 0.04260 -0.02739
|
|
176 5PY 0.04281 0.02845 0.00425 -0.02937 0.00989
|
|
177 5PZ -0.00789 -0.05348 0.04858 -0.05496 0.03251
|
|
178 6PX 0.14270 -0.07400 0.06220 0.11785 0.07406
|
|
179 6PY 0.12042 -0.16173 0.18212 0.02786 -0.25470
|
|
180 6PZ -0.37328 0.24181 -0.11427 0.25882 -0.45891
|
|
181 7PX 0.06495 0.09148 -0.06578 0.31443 0.09652
|
|
182 7PY 0.05806 0.06646 -0.07250 -0.02540 -0.01595
|
|
183 7PZ -0.12960 0.04808 0.10706 0.00469 -0.40252
|
|
184 8D 0 0.02597 -0.04509 0.01703 0.01865 -0.02664
|
|
185 8D+1 -0.01427 0.01397 -0.00672 -0.00492 -0.02277
|
|
186 8D-1 -0.04903 -0.00358 -0.00092 0.03397 -0.06217
|
|
187 8D+2 -0.00868 -0.02716 -0.00521 0.01624 -0.03418
|
|
188 8D-2 0.00920 0.01165 -0.01637 -0.01774 -0.01010
|
|
189 9D 0 0.01609 0.00615 -0.08302 -0.11885 0.26623
|
|
190 9D+1 -0.06693 -0.00540 0.02331 -0.16316 -0.07803
|
|
191 9D-1 -0.06559 0.00137 -0.06839 -0.00251 0.12634
|
|
192 9D+2 -0.01510 0.01337 -0.00035 0.03550 0.08081
|
|
193 9D-2 0.04025 0.03474 0.00815 0.08304 -0.06640
|
|
194 10F 0 -0.02220 0.02005 0.00081 -0.02994 0.05863
|
|
195 10F+1 0.03744 0.04819 -0.00963 -0.01784 0.06455
|
|
196 10F-1 0.10799 -0.02339 -0.09786 -0.02231 0.10217
|
|
197 10F+2 0.05623 0.23648 0.20572 0.10050 -0.11787
|
|
198 10F-2 -0.00042 0.15524 -0.22250 -0.08846 -0.01109
|
|
199 10F+3 -0.04118 -0.16668 0.45198 0.24986 0.20908
|
|
200 10F-3 0.13941 0.30830 0.09223 0.17871 -0.30664
|
|
201 6 H 1S -0.01266 0.00753 0.00643 -0.01584 0.01748
|
|
202 2S 0.16402 -0.73316 0.15728 -0.14735 0.30300
|
|
203 3S -0.29923 -0.73613 0.22374 0.07497 0.67633
|
|
204 4S -0.10444 -0.02513 0.02406 0.01628 -0.00842
|
|
205 5PX -0.04930 -0.09185 -0.00064 -0.00488 0.04884
|
|
206 5PY 0.03941 0.01779 -0.04774 0.02212 0.00107
|
|
207 5PZ 0.02748 0.04425 -0.01134 0.02820 -0.02174
|
|
208 6PX -0.08318 0.48863 -0.00820 0.10996 -0.30850
|
|
209 6PY 0.08819 -0.14377 0.27404 0.03906 0.00919
|
|
210 6PZ -0.03359 -0.06688 0.11835 0.09875 0.14669
|
|
211 7PX 0.20492 0.24132 -0.08044 0.02766 -0.16166
|
|
212 7PY -0.02410 -0.03650 0.04223 -0.01181 0.03452
|
|
213 7PZ -0.02724 0.04862 0.01218 0.21277 0.04072
|
|
214 8D 0 -0.00675 0.02994 0.00158 -0.01111 -0.01297
|
|
215 8D+1 -0.02243 0.02481 0.00140 0.00949 -0.01266
|
|
216 8D-1 0.00818 -0.00047 -0.02479 -0.00997 -0.01024
|
|
217 8D+2 0.04105 -0.01895 0.06418 -0.02822 -0.00138
|
|
218 8D-2 -0.02643 0.00748 0.03998 -0.00100 -0.02359
|
|
219 9D 0 0.00749 0.02847 0.00349 0.07555 -0.02950
|
|
220 9D+1 0.03832 -0.02621 -0.05795 -0.10983 -0.07819
|
|
221 9D-1 0.00226 0.03627 0.03143 0.03894 -0.01766
|
|
222 9D+2 -0.08923 -0.06171 -0.10332 -0.04583 0.05480
|
|
223 9D-2 -0.03752 0.04280 -0.12902 -0.06876 0.00343
|
|
224 10F 0 -0.02484 -0.16937 0.18249 0.33927 -0.25087
|
|
225 10F+1 0.05367 0.03582 -0.06648 0.15539 -0.26857
|
|
226 10F-1 0.08994 0.29507 -0.04318 0.25493 -0.18870
|
|
227 10F+2 0.02236 -0.15901 0.06953 0.25113 -0.11364
|
|
228 10F-2 -0.01063 0.11914 -0.16593 -0.10887 0.12691
|
|
229 10F+3 -0.02193 0.03242 -0.08733 0.16384 -0.12563
|
|
230 10F-3 0.10942 0.16623 -0.01560 0.03372 0.08062
|
|
121 122 123 124 125
|
|
V V V V V
|
|
Eigenvalues -- 6.22657 6.25022 6.27395 6.28974 6.38152
|
|
1 1 N 1S 0.00145 0.00600 0.00229 0.00729 0.00669
|
|
2 2S 0.00204 -0.06617 -0.02156 -0.05241 -0.05066
|
|
3 3S 0.06540 -1.07017 -0.31804 -0.77728 -0.72765
|
|
4 4S -0.25018 3.00764 1.06573 2.07281 1.82338
|
|
5 5S 0.02134 1.79497 0.86791 1.70907 0.96729
|
|
6 6PX -0.03015 -0.02790 -0.03532 0.00560 -0.01948
|
|
7 6PY 0.00120 -0.04836 -0.00890 -0.00573 -0.02141
|
|
8 6PZ 0.01364 -0.01796 0.01012 0.04825 0.02422
|
|
9 7PX -0.04717 -0.06304 -0.03164 0.02359 0.01365
|
|
10 7PY -0.00330 0.24988 -0.01944 0.16223 0.17228
|
|
11 7PZ -0.08453 -0.02713 -0.05896 0.00628 0.01949
|
|
12 8PX 0.42290 -0.05979 -0.07011 -0.22845 -0.23501
|
|
13 8PY 0.03968 -1.40485 0.22045 -0.81165 -1.04934
|
|
14 8PZ 0.42769 0.57455 0.46251 0.43688 -0.09548
|
|
15 9PX 0.14166 0.12271 -0.11943 0.06032 -0.01858
|
|
16 9PY 0.08756 -0.63087 0.12273 -0.28919 -0.45565
|
|
17 9PZ 0.11828 0.14580 0.14042 0.24425 -0.21752
|
|
18 10D 0 0.01103 0.00737 0.01103 0.00347 -0.01922
|
|
19 10D+1 -0.00031 0.01354 0.00476 0.00270 0.03093
|
|
20 10D-1 -0.00350 0.01337 0.00642 -0.00560 -0.02579
|
|
21 10D+2 -0.01400 -0.02365 -0.00341 -0.01562 -0.01000
|
|
22 10D-2 0.02139 -0.00289 -0.00933 -0.00190 -0.00295
|
|
23 11D 0 0.08881 -0.01091 0.03331 0.00233 -0.09026
|
|
24 11D+1 -0.05864 0.14914 0.04158 0.06951 0.18264
|
|
25 11D-1 -0.00728 0.12073 0.02943 0.02747 -0.08209
|
|
26 11D+2 -0.09396 -0.20224 0.02256 -0.13792 -0.00109
|
|
27 11D-2 0.09754 -0.06068 -0.04590 -0.03297 0.12148
|
|
28 12D 0 0.30317 0.09879 0.03413 -0.06587 -0.15957
|
|
29 12D+1 -0.08437 0.33746 0.06485 0.21954 0.51561
|
|
30 12D-1 0.12939 -0.00279 0.10019 0.00892 -0.07481
|
|
31 12D+2 -0.27642 -0.68055 0.23186 -0.21462 -0.03973
|
|
32 12D-2 0.00915 -0.01420 -0.35791 -0.27289 0.22034
|
|
33 13F 0 0.02526 -0.00172 -0.00109 0.00635 -0.01968
|
|
34 13F+1 0.00549 0.00584 -0.01990 -0.00642 0.02395
|
|
35 13F-1 0.01875 -0.00092 0.01297 -0.01864 -0.00990
|
|
36 13F+2 0.02250 -0.00352 0.00322 0.00742 -0.01235
|
|
37 13F-2 0.00555 0.00819 -0.00270 -0.00849 -0.00912
|
|
38 13F+3 -0.00988 0.02384 -0.00873 -0.01764 0.03141
|
|
39 13F-3 -0.01223 -0.00407 -0.00994 0.00298 0.00694
|
|
40 14F 0 0.13377 0.37005 0.01718 0.31495 0.19927
|
|
41 14F+1 -0.12075 0.08875 0.14035 0.08496 0.18668
|
|
42 14F-1 0.08752 0.34992 0.08614 -0.01679 0.13399
|
|
43 14F+2 0.01893 -0.02321 0.07432 0.07976 -0.11988
|
|
44 14F-2 -0.01988 0.09519 -0.01289 0.02517 0.25362
|
|
45 14F+3 0.32434 0.06606 -0.31470 -0.03994 -0.24085
|
|
46 14F-3 -0.05094 0.43587 -0.03625 0.41603 0.11238
|
|
47 15G 0 -0.01607 -0.00773 0.02888 0.02847 -0.07246
|
|
48 15G+1 0.08512 0.03211 -0.02445 0.02014 0.08243
|
|
49 15G-1 0.01891 0.06541 0.02577 0.03282 0.01334
|
|
50 15G+2 -0.01077 0.04448 0.00627 0.02262 0.05690
|
|
51 15G-2 -0.06941 0.01836 0.05342 0.01246 0.02390
|
|
52 15G+3 -0.04807 0.01536 0.03535 0.02255 0.20741
|
|
53 15G-3 -0.06906 -0.07947 0.03190 -0.03799 -0.00418
|
|
54 15G+4 0.03141 0.01907 -0.04189 -0.01704 0.03268
|
|
55 15G-4 0.02481 0.02869 -0.01431 -0.01039 -0.07771
|
|
56 2 N 1S 0.00145 -0.00600 0.00229 -0.00729 -0.00669
|
|
57 2S 0.00204 0.06617 -0.02156 0.05241 0.05066
|
|
58 3S 0.06540 1.07017 -0.31804 0.77728 0.72765
|
|
59 4S -0.25018 -3.00764 1.06573 -2.07281 -1.82338
|
|
60 5S 0.02134 -1.79497 0.86791 -1.70907 -0.96729
|
|
61 6PX 0.03015 -0.02790 0.03532 0.00560 -0.01948
|
|
62 6PY -0.00120 -0.04836 0.00890 -0.00573 -0.02141
|
|
63 6PZ 0.01364 0.01796 0.01012 -0.04825 -0.02422
|
|
64 7PX 0.04717 -0.06304 0.03164 0.02359 0.01365
|
|
65 7PY 0.00330 0.24988 0.01944 0.16223 0.17228
|
|
66 7PZ -0.08453 0.02713 -0.05896 -0.00628 -0.01949
|
|
67 8PX -0.42290 -0.05979 0.07011 -0.22845 -0.23501
|
|
68 8PY -0.03968 -1.40485 -0.22045 -0.81165 -1.04934
|
|
69 8PZ 0.42769 -0.57455 0.46251 -0.43688 0.09548
|
|
70 9PX -0.14166 0.12271 0.11943 0.06032 -0.01858
|
|
71 9PY -0.08756 -0.63087 -0.12273 -0.28919 -0.45565
|
|
72 9PZ 0.11828 -0.14580 0.14042 -0.24425 0.21752
|
|
73 10D 0 0.01103 -0.00737 0.01103 -0.00347 0.01922
|
|
74 10D+1 0.00031 0.01354 -0.00476 0.00270 0.03093
|
|
75 10D-1 0.00350 0.01337 -0.00642 -0.00560 -0.02579
|
|
76 10D+2 -0.01400 0.02365 -0.00341 0.01562 0.01000
|
|
77 10D-2 0.02139 0.00289 -0.00933 0.00190 0.00295
|
|
78 11D 0 0.08881 0.01091 0.03331 -0.00233 0.09026
|
|
79 11D+1 0.05864 0.14914 -0.04158 0.06951 0.18264
|
|
80 11D-1 0.00728 0.12073 -0.02943 0.02747 -0.08209
|
|
81 11D+2 -0.09396 0.20224 0.02256 0.13792 0.00109
|
|
82 11D-2 0.09754 0.06068 -0.04590 0.03297 -0.12148
|
|
83 12D 0 0.30317 -0.09879 0.03413 0.06587 0.15957
|
|
84 12D+1 0.08437 0.33746 -0.06485 0.21954 0.51561
|
|
85 12D-1 -0.12939 -0.00279 -0.10019 0.00892 -0.07481
|
|
86 12D+2 -0.27642 0.68055 0.23186 0.21462 0.03973
|
|
87 12D-2 0.00915 0.01420 -0.35791 0.27289 -0.22034
|
|
88 13F 0 0.02526 0.00172 -0.00109 -0.00635 0.01968
|
|
89 13F+1 -0.00549 0.00584 0.01990 -0.00642 0.02395
|
|
90 13F-1 -0.01875 -0.00092 -0.01297 -0.01864 -0.00990
|
|
91 13F+2 0.02250 0.00352 0.00322 -0.00742 0.01235
|
|
92 13F-2 0.00555 -0.00819 -0.00270 0.00849 0.00912
|
|
93 13F+3 0.00988 0.02384 0.00873 -0.01764 0.03141
|
|
94 13F-3 0.01223 -0.00407 0.00994 0.00298 0.00694
|
|
95 14F 0 0.13377 -0.37005 0.01718 -0.31495 -0.19927
|
|
96 14F+1 0.12075 0.08875 -0.14035 0.08496 0.18668
|
|
97 14F-1 -0.08752 0.34992 -0.08614 -0.01679 0.13399
|
|
98 14F+2 0.01893 0.02321 0.07432 -0.07976 0.11988
|
|
99 14F-2 -0.01988 -0.09519 -0.01289 -0.02517 -0.25362
|
|
100 14F+3 -0.32434 0.06606 0.31470 -0.03994 -0.24085
|
|
101 14F-3 0.05094 0.43587 0.03625 0.41603 0.11238
|
|
102 15G 0 -0.01607 0.00773 0.02888 -0.02847 0.07246
|
|
103 15G+1 -0.08512 0.03211 0.02445 0.02014 0.08243
|
|
104 15G-1 -0.01891 0.06541 -0.02577 0.03282 0.01334
|
|
105 15G+2 -0.01077 -0.04448 0.00627 -0.02262 -0.05690
|
|
106 15G-2 -0.06941 -0.01836 0.05342 -0.01246 -0.02390
|
|
107 15G+3 0.04807 0.01536 -0.03535 0.02255 0.20741
|
|
108 15G-3 0.06906 -0.07947 -0.03190 -0.03799 -0.00418
|
|
109 15G+4 0.03141 -0.01907 -0.04189 0.01704 -0.03268
|
|
110 15G-4 0.02481 -0.02869 -0.01431 0.01039 0.07771
|
|
111 3 H 1S -0.00801 -0.02788 -0.00109 0.03920 0.00706
|
|
112 2S -0.24336 -0.69369 -0.27622 -0.14521 -0.29227
|
|
113 3S -0.32413 -0.74849 -0.59988 -1.22376 -0.07181
|
|
114 4S -0.00223 0.05475 -0.02387 -0.14255 0.03966
|
|
115 5PX -0.03387 -0.05083 -0.02509 -0.00652 0.05218
|
|
116 5PY -0.01423 -0.01438 -0.01701 -0.01516 -0.02115
|
|
117 5PZ -0.05742 -0.09563 -0.02902 0.04169 0.01618
|
|
118 6PX 0.17961 0.17534 0.03051 0.03599 -0.23492
|
|
119 6PY 0.11679 0.31694 0.10166 0.27973 0.13275
|
|
120 6PZ 0.09328 0.45892 0.21967 0.09877 0.15588
|
|
121 7PX 0.06925 -0.07227 -0.02454 0.16746 -0.15227
|
|
122 7PY -0.00067 0.23158 0.13224 0.37285 0.15700
|
|
123 7PZ 0.00623 0.06451 0.11333 0.45349 0.06034
|
|
124 8D 0 -0.02666 -0.02058 -0.00401 -0.02036 -0.00091
|
|
125 8D+1 0.01635 -0.01122 -0.00429 -0.02005 -0.03858
|
|
126 8D-1 0.01523 -0.00307 -0.01272 0.00814 0.00015
|
|
127 8D+2 -0.00578 0.04279 0.02754 0.01606 -0.02650
|
|
128 8D-2 -0.02455 -0.01113 0.00816 0.03280 -0.08157
|
|
129 9D 0 0.08251 0.02909 -0.02242 0.01762 -0.05174
|
|
130 9D+1 -0.08204 -0.00166 0.03679 -0.05142 0.16492
|
|
131 9D-1 -0.01063 -0.16610 -0.06072 -0.23795 -0.09509
|
|
132 9D+2 0.00486 0.07491 0.01865 0.07782 0.10825
|
|
133 9D-2 -0.02849 -0.03596 0.02886 -0.06583 0.01908
|
|
134 10F 0 -0.03487 -0.01797 -0.01072 0.02776 0.11419
|
|
135 10F+1 -0.00156 0.02666 0.12456 -0.10746 -0.16172
|
|
136 10F-1 0.03076 0.00798 -0.12618 0.02574 -0.05817
|
|
137 10F+2 0.09672 0.10441 -0.27455 0.17630 -0.00558
|
|
138 10F-2 -0.15667 0.01182 -0.03367 0.14751 0.30851
|
|
139 10F+3 -0.42318 -0.22556 0.25536 0.01719 -0.05514
|
|
140 10F-3 0.28153 -0.05028 0.31803 -0.49147 -0.09109
|
|
141 4 H 1S 0.00300 0.00269 0.04316 -0.02445 0.00708
|
|
142 2S 0.46999 -0.18893 -0.19346 -0.50121 -0.47598
|
|
143 3S 0.40168 -0.30550 -0.89633 -0.11226 -0.40747
|
|
144 4S -0.02213 0.04016 -0.08518 0.08225 0.02904
|
|
145 5PX -0.07919 -0.00573 -0.02422 0.05542 0.03963
|
|
146 5PY -0.01208 0.03418 0.00575 0.01818 -0.00541
|
|
147 5PZ -0.03556 -0.01514 -0.02010 0.03224 -0.02313
|
|
148 6PX 0.25610 -0.27861 -0.06411 -0.32146 -0.28769
|
|
149 6PY -0.17937 -0.07921 0.09649 -0.05697 0.29768
|
|
150 6PZ 0.15821 0.13809 -0.10081 -0.05025 0.15378
|
|
151 7PX -0.00432 -0.23463 -0.33179 0.07299 -0.08629
|
|
152 7PY -0.14965 0.06145 0.11603 -0.13379 0.27876
|
|
153 7PZ -0.02189 0.09245 -0.23124 0.12696 0.23190
|
|
154 8D 0 -0.01770 -0.00346 0.02011 0.01576 0.03225
|
|
155 8D+1 -0.02257 -0.02247 -0.01273 -0.00471 -0.02662
|
|
156 8D-1 -0.03737 -0.00047 -0.00247 0.02395 0.04013
|
|
157 8D+2 0.00644 0.01145 0.00139 -0.01459 0.00054
|
|
158 8D-2 0.00290 0.05267 -0.01322 0.02331 -0.01398
|
|
159 9D 0 0.00081 0.10583 -0.01201 0.00147 0.11153
|
|
160 9D+1 0.02950 0.08647 -0.12554 0.05693 0.18152
|
|
161 9D-1 -0.04210 -0.05074 0.05512 -0.05070 0.01054
|
|
162 9D+2 -0.06331 -0.14804 0.00699 -0.05422 0.05597
|
|
163 9D-2 -0.09950 0.00990 0.07400 -0.08824 0.22632
|
|
164 10F 0 -0.18616 -0.28147 -0.01690 -0.16879 0.27573
|
|
165 10F+1 0.05180 -0.05189 -0.12006 0.11672 0.08935
|
|
166 10F-1 -0.24033 -0.49649 -0.37094 0.27827 -0.10918
|
|
167 10F+2 -0.21258 -0.12440 0.10036 -0.23807 0.29607
|
|
168 10F-2 0.03326 0.19661 0.15083 0.06732 0.15351
|
|
169 10F+3 0.02280 -0.07311 -0.13270 0.05156 0.03799
|
|
170 10F-3 -0.04817 -0.05594 -0.09341 0.01658 -0.10297
|
|
171 5 H 1S -0.00801 0.02788 -0.00109 -0.03920 -0.00706
|
|
172 2S -0.24336 0.69369 -0.27622 0.14521 0.29227
|
|
173 3S -0.32413 0.74849 -0.59988 1.22376 0.07181
|
|
174 4S -0.00223 -0.05475 -0.02387 0.14255 -0.03966
|
|
175 5PX 0.03387 -0.05083 0.02509 -0.00652 0.05218
|
|
176 5PY 0.01423 -0.01438 0.01701 -0.01516 -0.02115
|
|
177 5PZ -0.05742 0.09563 -0.02902 -0.04169 -0.01618
|
|
178 6PX -0.17961 0.17534 -0.03051 0.03599 -0.23492
|
|
179 6PY -0.11679 0.31694 -0.10166 0.27973 0.13275
|
|
180 6PZ 0.09328 -0.45892 0.21967 -0.09877 -0.15588
|
|
181 7PX -0.06925 -0.07227 0.02454 0.16746 -0.15227
|
|
182 7PY 0.00067 0.23158 -0.13224 0.37285 0.15700
|
|
183 7PZ 0.00623 -0.06451 0.11333 -0.45349 -0.06034
|
|
184 8D 0 -0.02666 0.02058 -0.00401 0.02036 0.00091
|
|
185 8D+1 -0.01635 -0.01122 0.00429 -0.02005 -0.03858
|
|
186 8D-1 -0.01523 -0.00307 0.01272 0.00814 0.00015
|
|
187 8D+2 -0.00578 -0.04279 0.02754 -0.01606 0.02650
|
|
188 8D-2 -0.02455 0.01113 0.00816 -0.03280 0.08157
|
|
189 9D 0 0.08251 -0.02909 -0.02242 -0.01762 0.05174
|
|
190 9D+1 0.08204 -0.00166 -0.03679 -0.05142 0.16492
|
|
191 9D-1 0.01063 -0.16610 0.06072 -0.23795 -0.09509
|
|
192 9D+2 0.00486 -0.07491 0.01865 -0.07782 -0.10825
|
|
193 9D-2 -0.02849 0.03596 0.02886 0.06583 -0.01908
|
|
194 10F 0 -0.03487 0.01797 -0.01072 -0.02776 -0.11419
|
|
195 10F+1 0.00156 0.02666 -0.12456 -0.10746 -0.16172
|
|
196 10F-1 -0.03076 0.00798 0.12618 0.02574 -0.05817
|
|
197 10F+2 0.09672 -0.10441 -0.27455 -0.17630 0.00558
|
|
198 10F-2 -0.15667 -0.01182 -0.03367 -0.14751 -0.30851
|
|
199 10F+3 0.42318 -0.22556 -0.25536 0.01719 -0.05514
|
|
200 10F-3 -0.28153 -0.05028 -0.31803 -0.49147 -0.09109
|
|
201 6 H 1S 0.00300 -0.00269 0.04316 0.02445 -0.00708
|
|
202 2S 0.46999 0.18893 -0.19346 0.50121 0.47598
|
|
203 3S 0.40168 0.30550 -0.89633 0.11226 0.40747
|
|
204 4S -0.02213 -0.04016 -0.08518 -0.08225 -0.02904
|
|
205 5PX 0.07919 -0.00573 0.02422 0.05542 0.03963
|
|
206 5PY 0.01208 0.03418 -0.00575 0.01818 -0.00541
|
|
207 5PZ -0.03556 0.01514 -0.02010 -0.03224 0.02313
|
|
208 6PX -0.25610 -0.27861 0.06411 -0.32146 -0.28769
|
|
209 6PY 0.17937 -0.07921 -0.09649 -0.05697 0.29768
|
|
210 6PZ 0.15821 -0.13809 -0.10081 0.05025 -0.15378
|
|
211 7PX 0.00432 -0.23463 0.33179 0.07299 -0.08629
|
|
212 7PY 0.14965 0.06145 -0.11603 -0.13379 0.27876
|
|
213 7PZ -0.02189 -0.09245 -0.23124 -0.12696 -0.23190
|
|
214 8D 0 -0.01770 0.00346 0.02011 -0.01576 -0.03225
|
|
215 8D+1 0.02257 -0.02247 0.01273 -0.00471 -0.02662
|
|
216 8D-1 0.03737 -0.00047 0.00247 0.02395 0.04013
|
|
217 8D+2 0.00644 -0.01145 0.00139 0.01459 -0.00054
|
|
218 8D-2 0.00290 -0.05267 -0.01322 -0.02331 0.01398
|
|
219 9D 0 0.00081 -0.10583 -0.01201 -0.00147 -0.11153
|
|
220 9D+1 -0.02950 0.08647 0.12554 0.05693 0.18152
|
|
221 9D-1 0.04210 -0.05074 -0.05512 -0.05070 0.01054
|
|
222 9D+2 -0.06331 0.14804 0.00699 0.05422 -0.05597
|
|
223 9D-2 -0.09950 -0.00990 0.07400 0.08824 -0.22632
|
|
224 10F 0 -0.18616 0.28147 -0.01690 0.16879 -0.27573
|
|
225 10F+1 -0.05180 -0.05189 0.12006 0.11672 0.08935
|
|
226 10F-1 0.24033 -0.49649 0.37094 0.27827 -0.10918
|
|
227 10F+2 -0.21258 0.12440 0.10036 0.23807 -0.29607
|
|
228 10F-2 0.03326 -0.19661 0.15083 -0.06732 -0.15351
|
|
229 10F+3 -0.02280 -0.07311 0.13270 0.05156 0.03799
|
|
230 10F-3 0.04817 -0.05594 0.09341 0.01658 -0.10297
|
|
126 127 128 129 130
|
|
V V V V V
|
|
Eigenvalues -- 6.40125 6.49681 6.63974 6.79525 6.85890
|
|
1 1 N 1S 0.00086 0.00017 -0.00045 0.00368 -0.00454
|
|
2 2S -0.00195 -0.00762 -0.01292 -0.02124 0.01270
|
|
3 3S -0.00271 -0.13213 -0.20312 -0.34475 0.18023
|
|
4 4S -0.04849 0.38696 0.58640 0.92091 -0.54123
|
|
5 5S -0.21492 0.34417 -0.17776 0.83006 -0.43025
|
|
6 6PX -0.01422 -0.00506 -0.00261 0.02629 -0.08831
|
|
7 6PY -0.00108 -0.02147 -0.04738 -0.06696 0.03141
|
|
8 6PZ -0.00630 -0.02612 0.01433 0.00446 -0.06574
|
|
9 7PX 0.01821 -0.03598 -0.03242 0.04626 0.06257
|
|
10 7PY 0.00142 0.05179 -0.03306 0.13945 -0.03297
|
|
11 7PZ 0.04888 0.02226 -0.04854 0.11587 0.03466
|
|
12 8PX -0.08677 -0.12983 0.41998 -0.58888 -0.18833
|
|
13 8PY -0.08076 -0.32858 -0.21592 -0.73405 -0.26065
|
|
14 8PZ -0.30723 -0.11557 0.41029 -0.34168 -0.70143
|
|
15 9PX 0.16779 -0.02150 0.22708 -0.34634 -0.12341
|
|
16 9PY -0.04631 -0.14388 -0.13690 -0.41076 -0.18912
|
|
17 9PZ -0.06958 -0.05717 0.05533 -0.42786 -0.32498
|
|
18 10D 0 0.00655 0.00283 0.00764 -0.04639 0.00077
|
|
19 10D+1 0.00356 -0.01286 0.02002 0.00183 -0.00541
|
|
20 10D-1 -0.01446 0.03898 0.04118 0.00138 -0.00958
|
|
21 10D+2 -0.00346 -0.00639 -0.00723 0.00785 -0.00385
|
|
22 10D-2 -0.02076 0.00134 0.02187 -0.05985 0.05241
|
|
23 11D 0 0.01414 -0.02781 0.12479 -0.03842 0.07918
|
|
24 11D+1 -0.00333 -0.02662 0.14808 0.05255 0.05182
|
|
25 11D-1 -0.07977 0.10786 -0.06570 0.10253 -0.02709
|
|
26 11D+2 0.02166 -0.02536 -0.00241 0.08382 -0.13399
|
|
27 11D-2 -0.07935 -0.04671 0.08556 0.08052 0.12388
|
|
28 12D 0 -0.01849 0.13484 0.31204 -0.57068 -0.08498
|
|
29 12D+1 0.03793 -0.10802 0.50870 0.09152 0.27134
|
|
30 12D-1 -0.22612 0.24585 -0.09994 0.05294 -0.18343
|
|
31 12D+2 0.02076 -0.29061 0.11384 0.16267 0.03571
|
|
32 12D-2 -0.34525 -0.05861 0.46149 0.06450 0.47791
|
|
33 13F 0 0.02312 -0.03046 -0.07681 -0.02430 -0.08123
|
|
34 13F+1 -0.01501 0.01632 -0.03473 0.04338 0.07201
|
|
35 13F-1 -0.02467 0.00121 0.04920 -0.03310 -0.06145
|
|
36 13F+2 -0.01533 0.02028 -0.06493 0.03538 0.09295
|
|
37 13F-2 0.00088 0.00584 0.01064 0.01606 0.00302
|
|
38 13F+3 0.03102 0.00454 0.00589 0.06135 0.01198
|
|
39 13F-3 0.02739 0.00245 0.00491 0.07149 0.05859
|
|
40 14F 0 0.02461 0.25269 0.35688 0.05655 0.15361
|
|
41 14F+1 0.04332 -0.11117 0.23188 0.26441 -0.07912
|
|
42 14F-1 -0.07578 -0.05483 -0.09694 0.20750 0.04839
|
|
43 14F+2 0.07294 0.09887 -0.06670 0.05727 -0.18147
|
|
44 14F-2 0.00426 -0.11836 0.25394 -0.06046 0.23265
|
|
45 14F+3 0.00013 0.09699 -0.12638 -0.17294 0.12042
|
|
46 14F-3 0.05776 0.17634 -0.15563 -0.17834 -0.24031
|
|
47 15G 0 0.07350 -0.01460 -0.11634 -0.00874 -0.06569
|
|
48 15G+1 -0.09082 0.08633 0.03546 -0.05409 -0.01242
|
|
49 15G-1 0.01616 0.04339 0.16255 -0.06773 -0.06413
|
|
50 15G+2 0.05911 -0.02740 0.05001 0.01410 0.04740
|
|
51 15G-2 0.04026 -0.10099 -0.04227 0.00372 -0.00304
|
|
52 15G+3 0.03161 -0.11351 0.06271 -0.05834 0.02974
|
|
53 15G-3 0.06956 -0.07605 0.14063 0.09944 0.04277
|
|
54 15G+4 -0.07176 0.05069 0.05357 0.05516 0.05667
|
|
55 15G-4 0.00517 -0.00034 -0.00430 -0.19000 -0.04953
|
|
56 2 N 1S 0.00086 -0.00017 -0.00045 -0.00368 -0.00454
|
|
57 2S -0.00195 0.00762 -0.01292 0.02124 0.01270
|
|
58 3S -0.00271 0.13213 -0.20312 0.34475 0.18023
|
|
59 4S -0.04849 -0.38696 0.58640 -0.92091 -0.54123
|
|
60 5S -0.21492 -0.34417 -0.17776 -0.83006 -0.43025
|
|
61 6PX 0.01422 -0.00506 0.00261 0.02629 0.08831
|
|
62 6PY 0.00108 -0.02147 0.04738 -0.06696 -0.03141
|
|
63 6PZ -0.00630 0.02612 0.01433 -0.00446 -0.06574
|
|
64 7PX -0.01821 -0.03598 0.03242 0.04626 -0.06257
|
|
65 7PY -0.00142 0.05179 0.03306 0.13945 0.03297
|
|
66 7PZ 0.04888 -0.02226 -0.04854 -0.11587 0.03466
|
|
67 8PX 0.08677 -0.12983 -0.41998 -0.58888 0.18833
|
|
68 8PY 0.08076 -0.32858 0.21592 -0.73405 0.26065
|
|
69 8PZ -0.30723 0.11557 0.41029 0.34168 -0.70143
|
|
70 9PX -0.16779 -0.02150 -0.22708 -0.34634 0.12341
|
|
71 9PY 0.04631 -0.14388 0.13690 -0.41076 0.18912
|
|
72 9PZ -0.06958 0.05717 0.05533 0.42786 -0.32498
|
|
73 10D 0 0.00655 -0.00283 0.00764 0.04639 0.00077
|
|
74 10D+1 -0.00356 -0.01286 -0.02002 0.00183 0.00541
|
|
75 10D-1 0.01446 0.03898 -0.04118 0.00138 0.00958
|
|
76 10D+2 -0.00346 0.00639 -0.00723 -0.00785 -0.00385
|
|
77 10D-2 -0.02076 -0.00134 0.02187 0.05985 0.05241
|
|
78 11D 0 0.01414 0.02781 0.12479 0.03842 0.07918
|
|
79 11D+1 0.00333 -0.02662 -0.14808 0.05255 -0.05182
|
|
80 11D-1 0.07977 0.10786 0.06570 0.10253 0.02709
|
|
81 11D+2 0.02166 0.02536 -0.00241 -0.08382 -0.13399
|
|
82 11D-2 -0.07935 0.04671 0.08556 -0.08052 0.12388
|
|
83 12D 0 -0.01849 -0.13484 0.31204 0.57068 -0.08498
|
|
84 12D+1 -0.03793 -0.10802 -0.50870 0.09152 -0.27134
|
|
85 12D-1 0.22612 0.24585 0.09994 0.05294 0.18343
|
|
86 12D+2 0.02076 0.29061 0.11384 -0.16267 0.03571
|
|
87 12D-2 -0.34525 0.05861 0.46149 -0.06450 0.47791
|
|
88 13F 0 0.02312 0.03046 -0.07681 0.02430 -0.08123
|
|
89 13F+1 0.01501 0.01632 0.03473 0.04338 -0.07201
|
|
90 13F-1 0.02467 0.00121 -0.04920 -0.03310 0.06145
|
|
91 13F+2 -0.01533 -0.02028 -0.06493 -0.03538 0.09295
|
|
92 13F-2 0.00088 -0.00584 0.01064 -0.01606 0.00302
|
|
93 13F+3 -0.03102 0.00454 -0.00589 0.06135 -0.01198
|
|
94 13F-3 -0.02739 0.00245 -0.00491 0.07149 -0.05859
|
|
95 14F 0 0.02461 -0.25269 0.35688 -0.05655 0.15361
|
|
96 14F+1 -0.04332 -0.11117 -0.23188 0.26441 0.07912
|
|
97 14F-1 0.07578 -0.05483 0.09694 0.20750 -0.04839
|
|
98 14F+2 0.07294 -0.09887 -0.06670 -0.05727 -0.18147
|
|
99 14F-2 0.00426 0.11836 0.25394 0.06046 0.23265
|
|
100 14F+3 -0.00013 0.09699 0.12638 -0.17294 -0.12042
|
|
101 14F-3 -0.05776 0.17634 0.15563 -0.17834 0.24031
|
|
102 15G 0 0.07350 0.01460 -0.11634 0.00874 -0.06569
|
|
103 15G+1 0.09082 0.08633 -0.03546 -0.05409 0.01242
|
|
104 15G-1 -0.01616 0.04339 -0.16255 -0.06773 0.06413
|
|
105 15G+2 0.05911 0.02740 0.05001 -0.01410 0.04740
|
|
106 15G-2 0.04026 0.10099 -0.04227 -0.00372 -0.00304
|
|
107 15G+3 -0.03161 -0.11351 -0.06271 -0.05834 -0.02974
|
|
108 15G-3 -0.06956 -0.07605 -0.14063 0.09944 -0.04277
|
|
109 15G+4 -0.07176 -0.05069 0.05357 -0.05516 0.05667
|
|
110 15G-4 0.00517 0.00034 -0.00430 0.19000 -0.04953
|
|
111 3 H 1S -0.00774 -0.00970 0.01739 -0.01517 0.02443
|
|
112 2S 0.11889 -0.10821 -0.47368 -0.03442 0.02178
|
|
113 3S 0.43698 0.05131 -0.53787 0.55241 0.78603
|
|
114 4S 0.01494 0.05239 0.02630 0.12845 0.08003
|
|
115 5PX 0.00912 -0.00980 -0.02486 0.08237 0.23687
|
|
116 5PY -0.00853 0.00738 0.08547 -0.01582 -0.06004
|
|
117 5PZ 0.02649 -0.04726 -0.09772 0.02330 0.03601
|
|
118 6PX -0.03102 0.15922 -0.10715 -0.17313 -0.30500
|
|
119 6PY 0.11822 0.08687 0.19269 0.01225 -0.01615
|
|
120 6PZ -0.15546 0.00304 0.29847 0.06261 -0.10869
|
|
121 7PX -0.10143 0.09920 -0.21444 -0.00775 0.02347
|
|
122 7PY 0.02746 -0.04409 0.32596 -0.09912 -0.14692
|
|
123 7PZ -0.18224 -0.12840 0.12923 -0.10899 -0.19412
|
|
124 8D 0 -0.02860 0.00645 0.03941 0.02444 0.05782
|
|
125 8D+1 -0.03105 0.02095 -0.00372 -0.10015 -0.14108
|
|
126 8D-1 0.04202 -0.01498 -0.02737 0.00265 0.07026
|
|
127 8D+2 0.03850 -0.02722 0.08309 -0.03033 -0.07973
|
|
128 8D-2 0.07789 -0.03908 -0.05439 0.02903 -0.05526
|
|
129 9D 0 0.10856 0.10611 -0.01056 -0.06434 -0.01983
|
|
130 9D+1 0.03629 -0.09112 0.16693 0.02937 0.02773
|
|
131 9D-1 -0.08686 -0.01096 -0.15683 -0.03621 0.08080
|
|
132 9D+2 0.05282 -0.01995 0.17673 0.01412 0.02043
|
|
133 9D-2 -0.00390 -0.06382 -0.04024 0.07649 -0.03202
|
|
134 10F 0 -0.04777 -0.02295 -0.02235 -0.06149 -0.03349
|
|
135 10F+1 0.22752 -0.16495 -0.11131 0.24137 0.19961
|
|
136 10F-1 0.01150 0.02461 -0.21115 0.10176 -0.16197
|
|
137 10F+2 -0.05463 0.13126 -0.33885 0.01617 0.16600
|
|
138 10F-2 -0.25512 0.25551 0.21756 -0.09488 0.12685
|
|
139 10F+3 -0.17677 0.18030 -0.15634 0.25054 -0.07236
|
|
140 10F-3 -0.22040 0.13791 -0.20444 -0.00965 0.04628
|
|
141 4 H 1S 0.01027 -0.00325 0.00707 -0.04767 0.06177
|
|
142 2S -0.12545 0.09548 -0.12294 -0.27719 0.06339
|
|
143 3S -0.13426 -0.12101 0.59353 -0.89668 0.08835
|
|
144 4S 0.01191 -0.01482 0.03061 -0.03854 -0.07262
|
|
145 5PX 0.03432 -0.02586 -0.03757 0.16240 -0.10870
|
|
146 5PY 0.00933 0.02839 -0.04105 0.12108 0.13360
|
|
147 5PZ -0.00475 0.04592 -0.07282 0.13472 0.16481
|
|
148 6PX -0.11781 -0.02936 0.04555 -0.26755 0.19136
|
|
149 6PY -0.13378 -0.11511 0.20299 0.19948 -0.03727
|
|
150 6PZ 0.00418 -0.05481 0.29376 -0.28660 0.14850
|
|
151 7PX -0.12027 -0.11873 0.21132 -0.07117 -0.08373
|
|
152 7PY -0.02265 0.00958 0.11470 0.35776 0.29038
|
|
153 7PZ -0.01799 0.00884 0.21359 0.03014 0.42341
|
|
154 8D 0 -0.05019 0.07318 -0.02374 0.06848 0.07845
|
|
155 8D+1 0.01072 0.00572 -0.07095 0.07964 0.09778
|
|
156 8D-1 0.07955 -0.08618 0.00565 0.01251 0.01130
|
|
157 8D+2 0.00716 0.04514 0.00030 0.03947 0.00500
|
|
158 8D-2 0.05163 0.01523 -0.03257 0.05124 0.05382
|
|
159 9D 0 0.01759 0.01483 0.10843 0.04637 0.15747
|
|
160 9D+1 -0.00704 -0.03493 0.19738 -0.07407 0.30834
|
|
161 9D-1 -0.01118 -0.04551 0.01865 0.11132 -0.00667
|
|
162 9D+2 -0.07416 -0.07540 0.08750 0.17105 0.05932
|
|
163 9D-2 -0.09043 -0.01733 0.11466 0.20019 0.09804
|
|
164 10F 0 -0.28120 0.06638 -0.03298 -0.07844 -0.05052
|
|
165 10F+1 -0.10431 0.14318 0.15734 0.19910 0.37251
|
|
166 10F-1 0.10483 -0.16629 -0.01599 -0.11023 -0.06233
|
|
167 10F+2 0.03488 -0.20810 -0.12091 0.08475 0.28631
|
|
168 10F-2 0.28314 -0.32212 0.12154 0.20765 0.09075
|
|
169 10F+3 -0.08037 0.15877 0.10412 0.32441 0.08228
|
|
170 10F-3 0.03753 -0.01003 -0.10823 -0.05069 -0.03055
|
|
171 5 H 1S -0.00774 0.00970 0.01739 0.01517 0.02443
|
|
172 2S 0.11889 0.10821 -0.47368 0.03442 0.02178
|
|
173 3S 0.43698 -0.05131 -0.53787 -0.55241 0.78603
|
|
174 4S 0.01494 -0.05239 0.02630 -0.12845 0.08003
|
|
175 5PX -0.00912 -0.00980 0.02486 0.08237 -0.23687
|
|
176 5PY 0.00853 0.00738 -0.08547 -0.01582 0.06004
|
|
177 5PZ 0.02649 0.04726 -0.09772 -0.02330 0.03601
|
|
178 6PX 0.03102 0.15922 0.10715 -0.17313 0.30500
|
|
179 6PY -0.11822 0.08687 -0.19269 0.01225 0.01615
|
|
180 6PZ -0.15546 -0.00304 0.29847 -0.06261 -0.10869
|
|
181 7PX 0.10143 0.09920 0.21444 -0.00775 -0.02347
|
|
182 7PY -0.02746 -0.04409 -0.32596 -0.09912 0.14692
|
|
183 7PZ -0.18224 0.12840 0.12923 0.10899 -0.19412
|
|
184 8D 0 -0.02860 -0.00645 0.03941 -0.02444 0.05782
|
|
185 8D+1 0.03105 0.02095 0.00372 -0.10015 0.14108
|
|
186 8D-1 -0.04202 -0.01498 0.02737 0.00265 -0.07026
|
|
187 8D+2 0.03850 0.02722 0.08309 0.03033 -0.07973
|
|
188 8D-2 0.07789 0.03908 -0.05439 -0.02903 -0.05526
|
|
189 9D 0 0.10856 -0.10611 -0.01056 0.06434 -0.01983
|
|
190 9D+1 -0.03629 -0.09112 -0.16693 0.02937 -0.02773
|
|
191 9D-1 0.08686 -0.01096 0.15683 -0.03621 -0.08080
|
|
192 9D+2 0.05282 0.01995 0.17673 -0.01412 0.02043
|
|
193 9D-2 -0.00390 0.06382 -0.04024 -0.07649 -0.03202
|
|
194 10F 0 -0.04777 0.02295 -0.02235 0.06149 -0.03349
|
|
195 10F+1 -0.22752 -0.16495 0.11131 0.24137 -0.19961
|
|
196 10F-1 -0.01150 0.02461 0.21115 0.10176 0.16197
|
|
197 10F+2 -0.05463 -0.13126 -0.33885 -0.01617 0.16600
|
|
198 10F-2 -0.25512 -0.25551 0.21756 0.09488 0.12685
|
|
199 10F+3 0.17677 0.18030 0.15634 0.25054 0.07236
|
|
200 10F-3 0.22040 0.13791 0.20444 -0.00965 -0.04628
|
|
201 6 H 1S 0.01027 0.00325 0.00707 0.04767 0.06177
|
|
202 2S -0.12545 -0.09548 -0.12294 0.27719 0.06339
|
|
203 3S -0.13426 0.12101 0.59353 0.89668 0.08835
|
|
204 4S 0.01191 0.01482 0.03061 0.03854 -0.07262
|
|
205 5PX -0.03432 -0.02586 0.03757 0.16240 0.10870
|
|
206 5PY -0.00933 0.02839 0.04105 0.12108 -0.13360
|
|
207 5PZ -0.00475 -0.04592 -0.07282 -0.13472 0.16481
|
|
208 6PX 0.11781 -0.02936 -0.04555 -0.26755 -0.19136
|
|
209 6PY 0.13378 -0.11511 -0.20299 0.19948 0.03727
|
|
210 6PZ 0.00418 0.05481 0.29376 0.28660 0.14850
|
|
211 7PX 0.12027 -0.11873 -0.21132 -0.07117 0.08373
|
|
212 7PY 0.02265 0.00958 -0.11470 0.35776 -0.29038
|
|
213 7PZ -0.01799 -0.00884 0.21359 -0.03014 0.42341
|
|
214 8D 0 -0.05019 -0.07318 -0.02374 -0.06848 0.07845
|
|
215 8D+1 -0.01072 0.00572 0.07095 0.07964 -0.09778
|
|
216 8D-1 -0.07955 -0.08618 -0.00565 0.01251 -0.01130
|
|
217 8D+2 0.00716 -0.04514 0.00030 -0.03947 0.00500
|
|
218 8D-2 0.05163 -0.01523 -0.03257 -0.05124 0.05382
|
|
219 9D 0 0.01759 -0.01483 0.10843 -0.04637 0.15747
|
|
220 9D+1 0.00704 -0.03493 -0.19738 -0.07407 -0.30834
|
|
221 9D-1 0.01118 -0.04551 -0.01865 0.11132 0.00667
|
|
222 9D+2 -0.07416 0.07540 0.08750 -0.17105 0.05932
|
|
223 9D-2 -0.09043 0.01733 0.11466 -0.20019 0.09804
|
|
224 10F 0 -0.28120 -0.06638 -0.03298 0.07844 -0.05052
|
|
225 10F+1 0.10431 0.14318 -0.15734 0.19910 -0.37251
|
|
226 10F-1 -0.10483 -0.16629 0.01599 -0.11023 0.06233
|
|
227 10F+2 0.03488 0.20810 -0.12091 -0.08475 0.28631
|
|
228 10F-2 0.28314 0.32212 0.12154 -0.20765 0.09075
|
|
229 10F+3 0.08037 0.15877 -0.10412 0.32441 -0.08228
|
|
230 10F-3 -0.03753 -0.01003 0.10823 -0.05069 0.03055
|
|
131 132 133 134 135
|
|
V V V V V
|
|
Eigenvalues -- 6.92757 6.96537 7.05911 7.10234 7.15195
|
|
1 1 N 1S -0.00307 0.00304 -0.00266 -0.00404 0.01066
|
|
2 2S 0.01162 -0.02771 -0.00031 0.00946 -0.06734
|
|
3 3S 0.18449 -0.28609 -0.00708 0.15826 -0.88061
|
|
4 4S -0.51082 0.48689 -0.06402 -0.37319 2.08491
|
|
5 5S -0.52668 0.69673 0.66144 1.43486 3.95900
|
|
6 6PX 0.10476 -0.16471 -0.02730 -0.17484 -0.13027
|
|
7 6PY -0.02467 -0.26138 -0.05248 -0.07245 -0.13201
|
|
8 6PZ 0.07185 0.10413 0.24002 0.02703 0.21520
|
|
9 7PX -0.04917 0.02603 0.23761 -0.00252 0.33419
|
|
10 7PY 0.06462 0.19638 0.06092 0.04869 0.08701
|
|
11 7PZ 0.01282 -0.19553 -0.03177 -0.21862 -0.11220
|
|
12 8PX 0.49598 -0.52292 -0.21078 -0.28852 -1.32446
|
|
13 8PY -0.36002 -0.19710 -0.17450 -0.38752 -0.66082
|
|
14 8PZ 0.10947 0.85689 0.42836 0.21532 1.30531
|
|
15 9PX 0.37869 0.09023 0.08350 -0.18278 -0.39711
|
|
16 9PY -0.18599 -0.08913 -0.25806 -0.53917 -0.55965
|
|
17 9PZ 0.15848 0.14991 0.10815 -0.01876 0.48085
|
|
18 10D 0 -0.02371 0.01425 -0.07200 0.05085 -0.01730
|
|
19 10D+1 -0.00104 0.02469 0.00447 0.01065 0.02525
|
|
20 10D-1 -0.03585 0.04167 -0.08189 -0.03236 0.02769
|
|
21 10D+2 -0.00116 -0.04152 0.00944 -0.04537 0.04711
|
|
22 10D-2 -0.03657 -0.02615 0.02985 0.05687 -0.02870
|
|
23 11D 0 -0.15977 0.28752 -0.03680 0.23697 0.23393
|
|
24 11D+1 0.06567 -0.31625 -0.17046 -0.04134 -0.43910
|
|
25 11D-1 -0.05825 0.00657 -0.02424 -0.22554 0.06338
|
|
26 11D+2 0.18767 0.28618 0.21470 0.17505 0.29056
|
|
27 11D-2 0.05819 0.00614 0.19459 0.02124 -0.03257
|
|
28 12D 0 0.01868 0.15424 -0.27689 0.27595 -0.00971
|
|
29 12D+1 0.15853 -0.21877 0.35598 0.37087 -0.24862
|
|
30 12D-1 -0.37823 0.21960 -0.09666 -0.53506 0.47002
|
|
31 12D+2 0.00522 -0.15144 0.11699 0.03458 0.09046
|
|
32 12D-2 0.16928 -0.41161 0.51821 0.21497 -0.36672
|
|
33 13F 0 0.04070 -0.05284 0.02935 -0.09934 -0.04015
|
|
34 13F+1 -0.13272 0.01965 -0.07492 -0.00946 0.00033
|
|
35 13F-1 0.05792 -0.00747 0.01501 0.01071 0.01025
|
|
36 13F+2 -0.06868 -0.00719 -0.02189 0.03647 -0.05812
|
|
37 13F-2 0.00180 0.06187 0.03301 0.06508 0.06145
|
|
38 13F+3 0.07103 0.06293 0.05196 -0.00131 0.01168
|
|
39 13F-3 -0.00653 0.04036 -0.00898 0.02445 0.01588
|
|
40 14F 0 -0.10598 0.20012 -0.10436 0.24258 0.32225
|
|
41 14F+1 0.36969 -0.22121 0.54849 -0.06565 0.14797
|
|
42 14F-1 -0.30235 0.18481 -0.04443 -0.21568 0.03044
|
|
43 14F+2 0.09815 -0.07191 0.32123 -0.56283 0.55129
|
|
44 14F-2 0.00855 -0.40356 0.21841 -0.05926 -0.30862
|
|
45 14F+3 -0.07201 -0.27047 0.14657 -0.12550 -0.10183
|
|
46 14F-3 -0.08549 0.05808 0.02391 -0.37872 0.23774
|
|
47 15G 0 -0.02452 0.07015 0.00282 -0.02228 0.12047
|
|
48 15G+1 -0.00988 0.01879 0.04421 -0.07389 0.09389
|
|
49 15G-1 0.02459 0.05803 -0.15995 0.06201 0.02694
|
|
50 15G+2 0.08087 -0.11989 0.03626 0.16472 -0.10779
|
|
51 15G-2 -0.07182 -0.02194 0.08711 -0.03807 0.11482
|
|
52 15G+3 -0.08061 0.03483 0.00713 -0.04969 0.11039
|
|
53 15G-3 0.04229 -0.07168 0.02838 -0.04735 -0.01192
|
|
54 15G+4 0.00722 -0.07623 -0.00176 0.07032 0.06314
|
|
55 15G-4 -0.09061 0.04142 -0.02451 0.06327 0.00379
|
|
56 2 N 1S 0.00307 0.00304 -0.00266 0.00404 -0.01066
|
|
57 2S -0.01162 -0.02771 -0.00031 -0.00946 0.06734
|
|
58 3S -0.18449 -0.28609 -0.00708 -0.15826 0.88061
|
|
59 4S 0.51082 0.48689 -0.06402 0.37319 -2.08491
|
|
60 5S 0.52668 0.69673 0.66144 -1.43486 -3.95900
|
|
61 6PX 0.10476 0.16471 0.02730 -0.17484 -0.13027
|
|
62 6PY -0.02467 0.26138 0.05248 -0.07245 -0.13201
|
|
63 6PZ -0.07185 0.10413 0.24002 -0.02703 -0.21520
|
|
64 7PX -0.04917 -0.02603 -0.23761 -0.00252 0.33419
|
|
65 7PY 0.06462 -0.19638 -0.06092 0.04869 0.08701
|
|
66 7PZ -0.01282 -0.19553 -0.03177 0.21862 0.11220
|
|
67 8PX 0.49598 0.52292 0.21078 -0.28852 -1.32446
|
|
68 8PY -0.36002 0.19710 0.17450 -0.38752 -0.66082
|
|
69 8PZ -0.10947 0.85689 0.42836 -0.21532 -1.30531
|
|
70 9PX 0.37869 -0.09023 -0.08350 -0.18278 -0.39711
|
|
71 9PY -0.18599 0.08913 0.25806 -0.53917 -0.55965
|
|
72 9PZ -0.15848 0.14991 0.10815 0.01876 -0.48085
|
|
73 10D 0 0.02371 0.01425 -0.07200 -0.05085 0.01730
|
|
74 10D+1 -0.00104 -0.02469 -0.00447 0.01065 0.02525
|
|
75 10D-1 -0.03585 -0.04167 0.08189 -0.03236 0.02769
|
|
76 10D+2 0.00116 -0.04152 0.00944 0.04537 -0.04711
|
|
77 10D-2 0.03657 -0.02615 0.02985 -0.05687 0.02870
|
|
78 11D 0 0.15977 0.28752 -0.03680 -0.23697 -0.23393
|
|
79 11D+1 0.06567 0.31625 0.17046 -0.04134 -0.43910
|
|
80 11D-1 -0.05825 -0.00657 0.02424 -0.22554 0.06338
|
|
81 11D+2 -0.18767 0.28618 0.21470 -0.17505 -0.29056
|
|
82 11D-2 -0.05819 0.00614 0.19459 -0.02124 0.03257
|
|
83 12D 0 -0.01868 0.15424 -0.27689 -0.27595 0.00971
|
|
84 12D+1 0.15853 0.21877 -0.35598 0.37087 -0.24862
|
|
85 12D-1 -0.37823 -0.21960 0.09666 -0.53506 0.47002
|
|
86 12D+2 -0.00522 -0.15144 0.11699 -0.03458 -0.09046
|
|
87 12D-2 -0.16928 -0.41161 0.51821 -0.21497 0.36672
|
|
88 13F 0 -0.04070 -0.05284 0.02935 0.09934 0.04015
|
|
89 13F+1 -0.13272 -0.01965 0.07492 -0.00946 0.00033
|
|
90 13F-1 0.05792 0.00747 -0.01501 0.01071 0.01025
|
|
91 13F+2 0.06868 -0.00719 -0.02189 -0.03647 0.05812
|
|
92 13F-2 -0.00180 0.06187 0.03301 -0.06508 -0.06145
|
|
93 13F+3 0.07103 -0.06293 -0.05196 -0.00131 0.01168
|
|
94 13F-3 -0.00653 -0.04036 0.00898 0.02445 0.01588
|
|
95 14F 0 0.10598 0.20012 -0.10436 -0.24258 -0.32225
|
|
96 14F+1 0.36969 0.22121 -0.54849 -0.06565 0.14797
|
|
97 14F-1 -0.30235 -0.18481 0.04443 -0.21568 0.03044
|
|
98 14F+2 -0.09815 -0.07191 0.32123 0.56283 -0.55129
|
|
99 14F-2 -0.00855 -0.40356 0.21841 0.05926 0.30862
|
|
100 14F+3 -0.07201 0.27047 -0.14657 -0.12550 -0.10183
|
|
101 14F-3 -0.08549 -0.05808 -0.02391 -0.37872 0.23774
|
|
102 15G 0 0.02452 0.07015 0.00282 0.02228 -0.12047
|
|
103 15G+1 -0.00988 -0.01879 -0.04421 -0.07389 0.09389
|
|
104 15G-1 0.02459 -0.05803 0.15995 0.06201 0.02694
|
|
105 15G+2 -0.08087 -0.11989 0.03626 -0.16472 0.10779
|
|
106 15G-2 0.07182 -0.02194 0.08711 0.03807 -0.11482
|
|
107 15G+3 -0.08061 -0.03483 -0.00713 -0.04969 0.11039
|
|
108 15G-3 0.04229 0.07168 -0.02838 -0.04735 -0.01192
|
|
109 15G+4 -0.00722 -0.07623 -0.00176 -0.07032 -0.06314
|
|
110 15G-4 0.09061 0.04142 -0.02451 -0.06327 -0.00379
|
|
111 3 H 1S 0.01972 -0.00107 0.06583 0.05907 0.04994
|
|
112 2S 0.18165 -0.24837 -0.04471 -0.02112 -0.34262
|
|
113 3S 0.13845 -0.66279 -0.48630 -0.06816 -1.72010
|
|
114 4S -0.09569 0.00675 -0.10234 -0.01416 -0.16463
|
|
115 5PX -0.20058 0.08903 0.02183 0.17162 0.11500
|
|
116 5PY 0.14865 0.09205 0.07161 0.12568 0.20299
|
|
117 5PZ 0.10128 -0.17708 0.21570 -0.05656 -0.12120
|
|
118 6PX -0.10923 0.39675 -0.42362 -0.06297 0.15084
|
|
119 6PY -0.04806 0.04111 0.03756 -0.02173 0.24496
|
|
120 6PZ -0.20445 0.20231 -0.13664 -0.09264 0.22340
|
|
121 7PX -0.43581 0.37990 -0.32234 0.17041 0.55680
|
|
122 7PY 0.29918 0.22698 0.32629 0.38687 0.58579
|
|
123 7PZ 0.03916 -0.04388 0.36836 -0.14920 0.29736
|
|
124 8D 0 -0.03296 0.05091 -0.01853 0.10074 -0.01538
|
|
125 8D+1 0.09150 -0.00632 -0.04333 -0.08420 -0.00660
|
|
126 8D-1 -0.06031 -0.05350 -0.06738 0.01412 -0.05667
|
|
127 8D+2 0.07905 0.05227 -0.01310 0.02213 0.02040
|
|
128 8D-2 0.04220 -0.00897 -0.02083 -0.02876 -0.06241
|
|
129 9D 0 -0.01792 0.27635 -0.10710 0.21862 0.33290
|
|
130 9D+1 0.27570 -0.40260 0.35173 -0.15002 -0.22464
|
|
131 9D-1 -0.12093 -0.06878 -0.19021 -0.02922 -0.40552
|
|
132 9D+2 0.21399 -0.07489 0.15229 0.21596 -0.02011
|
|
133 9D-2 0.09866 -0.17039 0.09345 -0.14440 -0.19965
|
|
134 10F 0 0.14215 -0.42138 0.05330 -0.28469 -0.38393
|
|
135 10F+1 -0.13628 0.08622 -0.06246 0.21253 -0.03015
|
|
136 10F-1 0.07861 -0.01177 0.27092 -0.27913 0.28110
|
|
137 10F+2 -0.40258 0.07591 -0.07449 -0.29583 0.08206
|
|
138 10F-2 -0.09425 0.23029 0.03873 0.19232 0.16034
|
|
139 10F+3 0.06468 -0.00584 -0.09566 -0.12999 -0.09084
|
|
140 10F-3 -0.10227 0.00023 0.06283 -0.08523 0.15007
|
|
141 4 H 1S 0.00269 0.01435 0.06244 0.06352 0.04823
|
|
142 2S -0.06261 -0.06203 -0.15527 0.02315 -0.40842
|
|
143 3S 0.76622 -0.36669 -0.12913 -0.52403 -1.53577
|
|
144 4S 0.14999 -0.05369 -0.02205 -0.11632 -0.08393
|
|
145 5PX 0.07326 0.04862 0.04777 -0.17967 0.15461
|
|
146 5PY 0.05013 0.19994 0.09450 0.12343 0.01194
|
|
147 5PZ -0.19365 -0.00609 -0.17981 -0.06294 -0.15867
|
|
148 6PX -0.02082 -0.06248 0.01699 0.17625 -0.28267
|
|
149 6PY 0.01065 -0.08317 -0.07434 0.13283 0.09465
|
|
150 6PZ 0.09101 -0.12027 -0.05650 0.41459 -0.37573
|
|
151 7PX 0.28511 -0.08188 0.10469 -0.30147 -0.22145
|
|
152 7PY -0.01046 0.31584 0.32444 0.45371 0.19543
|
|
153 7PZ -0.10220 -0.18656 -0.23878 0.24534 -0.62061
|
|
154 8D 0 -0.03725 0.04831 -0.03057 -0.00149 -0.01201
|
|
155 8D+1 -0.13843 -0.00017 -0.06912 -0.07201 0.02118
|
|
156 8D-1 0.01343 0.01064 0.05822 -0.00949 0.00185
|
|
157 8D+2 0.08055 0.07635 0.06939 -0.00635 0.00217
|
|
158 8D-2 -0.03160 0.12984 -0.00221 0.04079 0.04340
|
|
159 9D 0 0.00953 -0.09771 -0.02627 0.22154 -0.26251
|
|
160 9D+1 -0.11356 -0.13946 -0.25369 0.30212 -0.50512
|
|
161 9D-1 0.06670 0.00590 0.21533 -0.05794 0.17632
|
|
162 9D+2 0.08750 0.09972 0.20554 0.08830 0.16333
|
|
163 9D-2 0.02279 0.20291 -0.04240 0.30245 0.05179
|
|
164 10F 0 0.14169 0.00519 0.29657 0.02527 0.07344
|
|
165 10F+1 -0.09414 -0.20470 -0.11507 0.20236 -0.36138
|
|
166 10F-1 -0.05450 -0.09974 0.03427 -0.00933 0.15607
|
|
167 10F+2 -0.23739 -0.03680 0.00292 -0.03237 -0.13516
|
|
168 10F-2 0.11281 0.04900 0.36441 -0.02361 0.17095
|
|
169 10F+3 0.16464 0.17810 0.26138 0.11131 0.26332
|
|
170 10F-3 -0.15290 0.33692 -0.24310 0.23532 -0.00479
|
|
171 5 H 1S -0.01972 -0.00107 0.06583 -0.05907 -0.04994
|
|
172 2S -0.18165 -0.24837 -0.04471 0.02112 0.34262
|
|
173 3S -0.13845 -0.66279 -0.48630 0.06816 1.72010
|
|
174 4S 0.09569 0.00675 -0.10234 0.01416 0.16463
|
|
175 5PX -0.20058 -0.08903 -0.02183 0.17162 0.11500
|
|
176 5PY 0.14865 -0.09205 -0.07161 0.12568 0.20299
|
|
177 5PZ -0.10128 -0.17708 0.21570 0.05656 0.12120
|
|
178 6PX -0.10923 -0.39675 0.42362 -0.06297 0.15084
|
|
179 6PY -0.04806 -0.04111 -0.03756 -0.02173 0.24496
|
|
180 6PZ 0.20445 0.20231 -0.13664 0.09264 -0.22340
|
|
181 7PX -0.43581 -0.37990 0.32234 0.17041 0.55680
|
|
182 7PY 0.29918 -0.22698 -0.32629 0.38687 0.58579
|
|
183 7PZ -0.03916 -0.04388 0.36836 0.14920 -0.29736
|
|
184 8D 0 0.03296 0.05091 -0.01853 -0.10074 0.01538
|
|
185 8D+1 0.09150 0.00632 0.04333 -0.08420 -0.00660
|
|
186 8D-1 -0.06031 0.05350 0.06738 0.01412 -0.05667
|
|
187 8D+2 -0.07905 0.05227 -0.01310 -0.02213 -0.02040
|
|
188 8D-2 -0.04220 -0.00897 -0.02083 0.02876 0.06241
|
|
189 9D 0 0.01792 0.27635 -0.10710 -0.21862 -0.33290
|
|
190 9D+1 0.27570 0.40260 -0.35173 -0.15002 -0.22464
|
|
191 9D-1 -0.12093 0.06878 0.19021 -0.02922 -0.40552
|
|
192 9D+2 -0.21399 -0.07489 0.15229 -0.21596 0.02011
|
|
193 9D-2 -0.09866 -0.17039 0.09345 0.14440 0.19965
|
|
194 10F 0 -0.14215 -0.42138 0.05330 0.28469 0.38393
|
|
195 10F+1 -0.13628 -0.08622 0.06246 0.21253 -0.03015
|
|
196 10F-1 0.07861 0.01177 -0.27092 -0.27913 0.28110
|
|
197 10F+2 0.40258 0.07591 -0.07449 0.29583 -0.08206
|
|
198 10F-2 0.09425 0.23029 0.03873 -0.19232 -0.16034
|
|
199 10F+3 0.06468 0.00584 0.09566 -0.12999 -0.09084
|
|
200 10F-3 -0.10227 -0.00023 -0.06283 -0.08523 0.15007
|
|
201 6 H 1S -0.00269 0.01435 0.06244 -0.06352 -0.04823
|
|
202 2S 0.06261 -0.06203 -0.15527 -0.02315 0.40842
|
|
203 3S -0.76622 -0.36669 -0.12913 0.52403 1.53577
|
|
204 4S -0.14999 -0.05369 -0.02205 0.11632 0.08393
|
|
205 5PX 0.07326 -0.04862 -0.04777 -0.17967 0.15461
|
|
206 5PY 0.05013 -0.19994 -0.09450 0.12343 0.01194
|
|
207 5PZ 0.19365 -0.00609 -0.17981 0.06294 0.15867
|
|
208 6PX -0.02082 0.06248 -0.01699 0.17625 -0.28267
|
|
209 6PY 0.01065 0.08317 0.07434 0.13283 0.09465
|
|
210 6PZ -0.09101 -0.12027 -0.05650 -0.41459 0.37573
|
|
211 7PX 0.28511 0.08188 -0.10469 -0.30147 -0.22145
|
|
212 7PY -0.01046 -0.31584 -0.32444 0.45371 0.19543
|
|
213 7PZ 0.10220 -0.18656 -0.23878 -0.24534 0.62061
|
|
214 8D 0 0.03725 0.04831 -0.03057 0.00149 0.01201
|
|
215 8D+1 -0.13843 0.00017 0.06912 -0.07201 0.02118
|
|
216 8D-1 0.01343 -0.01064 -0.05822 -0.00949 0.00185
|
|
217 8D+2 -0.08055 0.07635 0.06939 0.00635 -0.00217
|
|
218 8D-2 0.03160 0.12984 -0.00221 -0.04079 -0.04340
|
|
219 9D 0 -0.00953 -0.09771 -0.02627 -0.22154 0.26251
|
|
220 9D+1 -0.11356 0.13946 0.25369 0.30212 -0.50512
|
|
221 9D-1 0.06670 -0.00590 -0.21533 -0.05794 0.17632
|
|
222 9D+2 -0.08750 0.09972 0.20554 -0.08830 -0.16333
|
|
223 9D-2 -0.02279 0.20291 -0.04240 -0.30245 -0.05179
|
|
224 10F 0 -0.14169 0.00519 0.29657 -0.02527 -0.07344
|
|
225 10F+1 -0.09414 0.20470 0.11507 0.20236 -0.36138
|
|
226 10F-1 -0.05450 0.09974 -0.03427 -0.00933 0.15607
|
|
227 10F+2 0.23739 -0.03680 0.00292 0.03237 0.13516
|
|
228 10F-2 -0.11281 0.04900 0.36441 0.02361 -0.17095
|
|
229 10F+3 0.16464 -0.17810 -0.26138 0.11131 0.26332
|
|
230 10F-3 -0.15290 -0.33692 0.24310 0.23532 -0.00479
|
|
136 137 138 139 140
|
|
V V V V V
|
|
Eigenvalues -- 7.22289 7.25316 7.29169 7.36522 7.41253
|
|
1 1 N 1S -0.00067 0.00689 0.01129 0.00190 -0.01435
|
|
2 2S 0.01043 -0.02503 -0.04468 0.00053 0.03325
|
|
3 3S 0.14366 -0.24580 -0.46045 0.03443 0.36980
|
|
4 4S -0.28934 0.53887 0.89670 -0.13693 -0.76113
|
|
5 5S 0.11944 0.05919 0.57211 -1.03618 -0.31915
|
|
6 6PX -0.03157 -0.10126 -0.03776 0.08666 -0.12975
|
|
7 6PY -0.03685 0.06952 -0.01708 -0.02677 0.17172
|
|
8 6PZ -0.04657 -0.01924 0.00515 -0.03478 0.13869
|
|
9 7PX -0.58534 0.07991 -0.42742 -0.34728 0.05506
|
|
10 7PY -0.03223 -0.13460 -0.10833 0.08183 -0.26622
|
|
11 7PZ -0.55651 0.00059 -0.60890 -0.10604 -0.17745
|
|
12 8PX 0.56149 -0.24743 0.40821 1.43181 0.08333
|
|
13 8PY -0.13460 0.11178 0.33647 -0.66961 1.62311
|
|
14 8PZ 0.78219 -0.53251 1.32656 0.01664 0.68664
|
|
15 9PX 0.14453 0.30363 0.17560 0.50057 -0.03227
|
|
16 9PY 0.00617 0.04558 0.08566 -0.20933 0.67718
|
|
17 9PZ 0.35464 0.02739 0.37395 -0.25937 0.36252
|
|
18 10D 0 0.12161 0.06185 0.08792 0.00502 -0.01394
|
|
19 10D+1 -0.00377 0.02128 0.03470 -0.00655 0.01268
|
|
20 10D-1 0.05396 -0.01502 0.08606 0.03996 -0.01153
|
|
21 10D+2 -0.05630 -0.02303 -0.04839 -0.00801 0.00248
|
|
22 10D-2 0.05548 -0.00954 0.04109 0.02204 0.04052
|
|
23 11D 0 -0.44994 -0.21391 -0.41854 0.08850 -0.20529
|
|
24 11D+1 -0.09949 -0.06390 -0.05168 0.24424 -0.45863
|
|
25 11D-1 -0.10243 0.26875 -0.16324 -0.47782 0.24219
|
|
26 11D+2 0.42126 0.00844 0.26133 -0.02760 -0.16847
|
|
27 11D-2 -0.01537 0.19759 -0.10706 -0.41541 -0.37035
|
|
28 12D 0 0.38695 0.17873 0.31689 0.21428 0.26524
|
|
29 12D+1 -0.20420 0.32599 0.18110 0.15880 -0.07565
|
|
30 12D-1 0.19534 -0.23054 0.34727 0.25344 0.12151
|
|
31 12D+2 -0.19646 0.09644 -0.06150 -0.41781 0.31432
|
|
32 12D-2 0.20958 -0.44310 0.28576 0.14898 -0.02647
|
|
33 13F 0 0.03572 0.13266 0.04264 -0.09328 0.02282
|
|
34 13F+1 -0.04226 -0.02257 -0.03606 -0.00141 -0.01519
|
|
35 13F-1 -0.07207 -0.03497 -0.02992 0.03869 -0.06185
|
|
36 13F+2 -0.04914 0.01126 -0.03100 -0.04372 0.01331
|
|
37 13F-2 -0.00294 0.00796 0.00278 -0.02907 0.03174
|
|
38 13F+3 0.04148 0.08694 -0.05229 -0.06743 0.00104
|
|
39 13F-3 0.06579 0.07225 0.08431 -0.02376 -0.06995
|
|
40 14F 0 -0.23046 0.01508 -0.12600 0.31365 -0.12447
|
|
41 14F+1 0.20538 -0.18210 0.57245 0.26871 0.24043
|
|
42 14F-1 -0.00170 -0.07415 -0.02044 -0.21956 0.01565
|
|
43 14F+2 0.34237 -0.32067 0.35929 0.65227 0.19533
|
|
44 14F-2 -0.08090 0.09153 -0.08725 0.15228 0.01166
|
|
45 14F+3 -0.05552 -0.33557 0.29016 0.42403 0.19169
|
|
46 14F-3 -0.01290 -0.11865 -0.02990 0.24873 0.07254
|
|
47 15G 0 0.06910 0.08953 -0.01325 -0.02310 -0.02858
|
|
48 15G+1 0.01783 -0.04630 -0.02565 0.03439 0.04066
|
|
49 15G-1 -0.07039 0.10940 0.00224 -0.06102 -0.01085
|
|
50 15G+2 -0.01831 0.19761 0.02625 0.06349 -0.04385
|
|
51 15G-2 -0.06401 -0.07600 0.09941 0.04067 0.03271
|
|
52 15G+3 0.05683 0.03681 -0.01416 -0.05675 -0.12145
|
|
53 15G-3 -0.00985 -0.15917 -0.02566 0.03295 0.06080
|
|
54 15G+4 -0.01737 -0.03962 0.08079 0.01431 0.01888
|
|
55 15G-4 -0.05768 0.03520 -0.07942 -0.00676 -0.00998
|
|
56 2 N 1S 0.00067 0.00689 0.01129 -0.00190 0.01435
|
|
57 2S -0.01043 -0.02503 -0.04468 -0.00053 -0.03325
|
|
58 3S -0.14366 -0.24580 -0.46045 -0.03443 -0.36980
|
|
59 4S 0.28934 0.53887 0.89670 0.13693 0.76113
|
|
60 5S -0.11944 0.05919 0.57211 1.03618 0.31915
|
|
61 6PX -0.03157 0.10126 0.03776 0.08666 -0.12975
|
|
62 6PY -0.03685 -0.06952 0.01708 -0.02677 0.17172
|
|
63 6PZ 0.04657 -0.01924 0.00515 0.03478 -0.13869
|
|
64 7PX -0.58534 -0.07991 0.42742 -0.34728 0.05506
|
|
65 7PY -0.03223 0.13460 0.10833 0.08183 -0.26622
|
|
66 7PZ 0.55651 0.00059 -0.60890 0.10604 0.17745
|
|
67 8PX 0.56149 0.24743 -0.40821 1.43181 0.08333
|
|
68 8PY -0.13460 -0.11178 -0.33647 -0.66961 1.62311
|
|
69 8PZ -0.78219 -0.53251 1.32656 -0.01664 -0.68664
|
|
70 9PX 0.14453 -0.30363 -0.17560 0.50057 -0.03227
|
|
71 9PY 0.00617 -0.04558 -0.08566 -0.20933 0.67718
|
|
72 9PZ -0.35464 0.02739 0.37395 0.25937 -0.36252
|
|
73 10D 0 -0.12161 0.06185 0.08792 -0.00502 0.01394
|
|
74 10D+1 -0.00377 -0.02128 -0.03470 -0.00655 0.01268
|
|
75 10D-1 0.05396 0.01502 -0.08606 0.03996 -0.01153
|
|
76 10D+2 0.05630 -0.02303 -0.04839 0.00801 -0.00248
|
|
77 10D-2 -0.05548 -0.00954 0.04109 -0.02204 -0.04052
|
|
78 11D 0 0.44994 -0.21391 -0.41854 -0.08850 0.20529
|
|
79 11D+1 -0.09949 0.06390 0.05168 0.24424 -0.45863
|
|
80 11D-1 -0.10243 -0.26875 0.16324 -0.47782 0.24219
|
|
81 11D+2 -0.42126 0.00844 0.26133 0.02760 0.16847
|
|
82 11D-2 0.01537 0.19759 -0.10706 0.41541 0.37035
|
|
83 12D 0 -0.38695 0.17873 0.31689 -0.21428 -0.26524
|
|
84 12D+1 -0.20420 -0.32599 -0.18110 0.15880 -0.07565
|
|
85 12D-1 0.19534 0.23054 -0.34727 0.25344 0.12151
|
|
86 12D+2 0.19646 0.09644 -0.06150 0.41781 -0.31432
|
|
87 12D-2 -0.20958 -0.44310 0.28576 -0.14898 0.02647
|
|
88 13F 0 -0.03572 0.13266 0.04264 0.09328 -0.02282
|
|
89 13F+1 -0.04226 0.02257 0.03606 -0.00141 -0.01519
|
|
90 13F-1 -0.07207 0.03497 0.02992 0.03869 -0.06185
|
|
91 13F+2 0.04914 0.01126 -0.03100 0.04372 -0.01331
|
|
92 13F-2 0.00294 0.00796 0.00278 0.02907 -0.03174
|
|
93 13F+3 0.04148 -0.08694 0.05229 -0.06743 0.00104
|
|
94 13F-3 0.06579 -0.07225 -0.08431 -0.02376 -0.06995
|
|
95 14F 0 0.23046 0.01508 -0.12600 -0.31365 0.12447
|
|
96 14F+1 0.20538 0.18210 -0.57245 0.26871 0.24043
|
|
97 14F-1 -0.00170 0.07415 0.02044 -0.21956 0.01565
|
|
98 14F+2 -0.34237 -0.32067 0.35929 -0.65227 -0.19533
|
|
99 14F-2 0.08090 0.09153 -0.08725 -0.15228 -0.01166
|
|
100 14F+3 -0.05552 0.33557 -0.29016 0.42403 0.19169
|
|
101 14F-3 -0.01290 0.11865 0.02990 0.24873 0.07254
|
|
102 15G 0 -0.06910 0.08953 -0.01325 0.02310 0.02858
|
|
103 15G+1 0.01783 0.04630 0.02565 0.03439 0.04066
|
|
104 15G-1 -0.07039 -0.10940 -0.00224 -0.06102 -0.01085
|
|
105 15G+2 0.01831 0.19761 0.02625 -0.06349 0.04385
|
|
106 15G-2 0.06401 -0.07600 0.09941 -0.04067 -0.03271
|
|
107 15G+3 0.05683 -0.03681 0.01416 -0.05675 -0.12145
|
|
108 15G-3 -0.00985 0.15917 0.02566 0.03295 0.06080
|
|
109 15G+4 0.01737 -0.03962 0.08079 -0.01431 -0.01888
|
|
110 15G-4 0.05768 0.03520 -0.07942 0.00676 0.00998
|
|
111 3 H 1S 0.10292 0.03737 0.12575 0.03237 0.12273
|
|
112 2S -0.17743 0.04015 -0.54845 -0.15101 -0.35298
|
|
113 3S -0.12618 0.03093 -0.92075 0.24476 -0.38313
|
|
114 4S -0.05491 -0.03102 -0.08460 0.02287 -0.19246
|
|
115 5PX -0.12389 -0.03307 -0.10902 -0.09980 0.26910
|
|
116 5PY -0.05453 -0.26858 0.02168 0.34822 -0.05171
|
|
117 5PZ 0.04452 0.07123 -0.09139 -0.13824 0.19239
|
|
118 6PX -0.09399 0.13738 -0.19261 -0.27376 -0.28407
|
|
119 6PY 0.04932 0.16732 0.10304 0.05192 -0.02586
|
|
120 6PZ -0.26967 -0.10314 0.11308 -0.04573 -0.13949
|
|
121 7PX -0.16968 -0.06701 -0.27394 -0.41702 0.11398
|
|
122 7PY -0.05255 -0.10179 0.15387 0.44987 -0.13180
|
|
123 7PZ -0.09234 -0.01392 0.13146 -0.15875 0.23002
|
|
124 8D 0 0.03687 -0.05226 0.05459 0.03571 -0.03350
|
|
125 8D+1 0.04463 0.04135 -0.02110 -0.05110 -0.04026
|
|
126 8D-1 0.06849 0.13038 0.04868 0.02884 -0.05057
|
|
127 8D+2 -0.06583 -0.00899 -0.03703 0.01671 -0.08196
|
|
128 8D-2 0.03485 0.05741 0.02970 -0.01422 0.00040
|
|
129 9D 0 0.23971 -0.02938 0.19308 0.29556 -0.03783
|
|
130 9D+1 0.30544 -0.11755 0.39573 0.49400 -0.02160
|
|
131 9D-1 0.09098 0.15409 0.01563 -0.42729 0.18646
|
|
132 9D+2 0.00892 0.00452 0.08384 0.24353 -0.10456
|
|
133 9D-2 0.12331 -0.06600 0.25999 0.07941 0.07516
|
|
134 10F 0 -0.23791 0.27241 -0.32752 -0.37901 0.06690
|
|
135 10F+1 -0.31887 0.03140 -0.21768 -0.29125 0.24122
|
|
136 10F-1 -0.21234 -0.35084 -0.19384 0.24785 -0.06944
|
|
137 10F+2 0.14440 0.07277 0.07736 -0.15472 0.21471
|
|
138 10F-2 -0.27229 0.05944 -0.44538 -0.10735 -0.01651
|
|
139 10F+3 0.16305 -0.02154 0.18421 -0.00915 0.06970
|
|
140 10F-3 0.04957 0.06122 0.01400 -0.06744 0.04811
|
|
141 4 H 1S -0.14131 0.04386 -0.14012 -0.04666 0.14392
|
|
142 2S 0.42500 -0.30094 0.18751 0.34086 -0.04381
|
|
143 3S 0.05753 -0.27322 -0.23427 1.26926 -0.11301
|
|
144 4S 0.02373 0.01309 0.08709 0.17489 -0.15446
|
|
145 5PX 0.05814 0.08458 0.15720 -0.10394 -0.29182
|
|
146 5PY 0.13708 0.14649 -0.12078 -0.24768 -0.14967
|
|
147 5PZ -0.14619 -0.12590 -0.10674 0.17478 -0.30172
|
|
148 6PX -0.13282 -0.17629 -0.36125 0.06444 0.34963
|
|
149 6PY -0.05043 -0.01612 0.07469 -0.15676 -0.16672
|
|
150 6PZ -0.22959 0.38182 -0.31173 -0.19902 -0.03051
|
|
151 7PX -0.02890 -0.19739 -0.02421 0.20523 -0.25933
|
|
152 7PY 0.16197 0.14438 -0.05420 -0.45680 -0.22833
|
|
153 7PZ -0.41004 0.10559 -0.38447 0.23695 -0.44390
|
|
154 8D 0 0.06570 -0.03185 0.06243 0.06218 0.04129
|
|
155 8D+1 0.00075 -0.11658 0.01619 0.02521 0.03043
|
|
156 8D-1 0.05117 0.08971 0.06349 -0.03674 -0.03082
|
|
157 8D+2 -0.02376 0.02287 -0.04035 0.06585 0.03465
|
|
158 8D-2 0.07361 0.06932 0.06096 -0.02837 0.02333
|
|
159 9D 0 -0.02108 0.06329 0.05014 0.11583 -0.12869
|
|
160 9D+1 -0.46720 0.26901 -0.52492 -0.07126 -0.47703
|
|
161 9D-1 0.19754 -0.06636 0.12384 -0.02925 0.11323
|
|
162 9D+2 -0.12998 0.02957 -0.13397 -0.33776 -0.13883
|
|
163 9D-2 0.20897 0.13911 -0.05698 -0.36963 -0.38602
|
|
164 10F 0 0.28074 0.09495 0.29619 0.00588 0.25270
|
|
165 10F+1 0.10351 -0.05396 0.26159 0.29097 -0.02146
|
|
166 10F-1 -0.06807 -0.00569 0.05640 0.03450 0.05518
|
|
167 10F+2 -0.14596 0.05962 -0.20455 -0.00573 -0.32650
|
|
168 10F-2 0.32084 -0.04692 0.22200 0.05342 0.19693
|
|
169 10F+3 -0.10602 0.20395 -0.01796 -0.35413 -0.20746
|
|
170 10F-3 0.34874 0.15703 0.01137 -0.26256 -0.33409
|
|
171 5 H 1S -0.10292 0.03737 0.12575 -0.03237 -0.12273
|
|
172 2S 0.17743 0.04015 -0.54845 0.15101 0.35298
|
|
173 3S 0.12618 0.03093 -0.92075 -0.24476 0.38313
|
|
174 4S 0.05491 -0.03102 -0.08460 -0.02287 0.19246
|
|
175 5PX -0.12389 0.03307 0.10902 -0.09980 0.26910
|
|
176 5PY -0.05453 0.26858 -0.02168 0.34822 -0.05171
|
|
177 5PZ -0.04452 0.07123 -0.09139 0.13824 -0.19239
|
|
178 6PX -0.09399 -0.13738 0.19261 -0.27376 -0.28407
|
|
179 6PY 0.04932 -0.16732 -0.10304 0.05192 -0.02586
|
|
180 6PZ 0.26967 -0.10314 0.11308 0.04573 0.13949
|
|
181 7PX -0.16968 0.06701 0.27394 -0.41702 0.11398
|
|
182 7PY -0.05255 0.10179 -0.15387 0.44987 -0.13180
|
|
183 7PZ 0.09234 -0.01392 0.13146 0.15875 -0.23002
|
|
184 8D 0 -0.03687 -0.05226 0.05459 -0.03571 0.03350
|
|
185 8D+1 0.04463 -0.04135 0.02110 -0.05110 -0.04026
|
|
186 8D-1 0.06849 -0.13038 -0.04868 0.02884 -0.05057
|
|
187 8D+2 0.06583 -0.00899 -0.03703 -0.01671 0.08196
|
|
188 8D-2 -0.03485 0.05741 0.02970 0.01422 -0.00040
|
|
189 9D 0 -0.23971 -0.02938 0.19308 -0.29556 0.03783
|
|
190 9D+1 0.30544 0.11755 -0.39573 0.49400 -0.02160
|
|
191 9D-1 0.09098 -0.15409 -0.01563 -0.42729 0.18646
|
|
192 9D+2 -0.00892 0.00452 0.08384 -0.24353 0.10456
|
|
193 9D-2 -0.12331 -0.06600 0.25999 -0.07941 -0.07516
|
|
194 10F 0 0.23791 0.27241 -0.32752 0.37901 -0.06690
|
|
195 10F+1 -0.31887 -0.03140 0.21768 -0.29125 0.24122
|
|
196 10F-1 -0.21234 0.35084 0.19384 0.24785 -0.06944
|
|
197 10F+2 -0.14440 0.07277 0.07736 0.15472 -0.21471
|
|
198 10F-2 0.27229 0.05944 -0.44538 0.10735 0.01651
|
|
199 10F+3 0.16305 0.02154 -0.18421 -0.00915 0.06970
|
|
200 10F-3 0.04957 -0.06122 -0.01400 -0.06744 0.04811
|
|
201 6 H 1S 0.14131 0.04386 -0.14012 0.04666 -0.14392
|
|
202 2S -0.42500 -0.30094 0.18751 -0.34086 0.04381
|
|
203 3S -0.05753 -0.27322 -0.23427 -1.26926 0.11301
|
|
204 4S -0.02373 0.01309 0.08709 -0.17489 0.15446
|
|
205 5PX 0.05814 -0.08458 -0.15720 -0.10394 -0.29182
|
|
206 5PY 0.13708 -0.14649 0.12078 -0.24768 -0.14967
|
|
207 5PZ 0.14619 -0.12590 -0.10674 -0.17478 0.30172
|
|
208 6PX -0.13282 0.17629 0.36125 0.06444 0.34963
|
|
209 6PY -0.05043 0.01612 -0.07469 -0.15676 -0.16672
|
|
210 6PZ 0.22959 0.38182 -0.31173 0.19902 0.03051
|
|
211 7PX -0.02890 0.19739 0.02421 0.20523 -0.25933
|
|
212 7PY 0.16197 -0.14438 0.05420 -0.45680 -0.22833
|
|
213 7PZ 0.41004 0.10559 -0.38447 -0.23695 0.44390
|
|
214 8D 0 -0.06570 -0.03185 0.06243 -0.06218 -0.04129
|
|
215 8D+1 0.00075 0.11658 -0.01619 0.02521 0.03043
|
|
216 8D-1 0.05117 -0.08971 -0.06349 -0.03674 -0.03082
|
|
217 8D+2 0.02376 0.02287 -0.04035 -0.06585 -0.03465
|
|
218 8D-2 -0.07361 0.06932 0.06096 0.02837 -0.02333
|
|
219 9D 0 0.02108 0.06329 0.05014 -0.11583 0.12869
|
|
220 9D+1 -0.46720 -0.26901 0.52492 -0.07126 -0.47703
|
|
221 9D-1 0.19754 0.06636 -0.12384 -0.02925 0.11323
|
|
222 9D+2 0.12998 0.02957 -0.13397 0.33776 0.13883
|
|
223 9D-2 -0.20897 0.13911 -0.05698 0.36963 0.38602
|
|
224 10F 0 -0.28074 0.09495 0.29619 -0.00588 -0.25270
|
|
225 10F+1 0.10351 0.05396 -0.26159 0.29097 -0.02146
|
|
226 10F-1 -0.06807 0.00569 -0.05640 0.03450 0.05518
|
|
227 10F+2 0.14596 0.05962 -0.20455 0.00573 0.32650
|
|
228 10F-2 -0.32084 -0.04692 0.22200 -0.05342 -0.19693
|
|
229 10F+3 -0.10602 -0.20395 0.01796 -0.35413 -0.20746
|
|
230 10F-3 0.34874 -0.15703 -0.01137 -0.26256 -0.33409
|
|
141 142 143 144 145
|
|
V V V V V
|
|
Eigenvalues -- 7.42475 7.44321 7.51863 7.53698 7.58434
|
|
1 1 N 1S -0.00528 0.02631 0.00745 0.02252 0.01018
|
|
2 2S -0.01081 -0.11994 -0.05516 -0.10778 -0.04749
|
|
3 3S -0.18765 -1.13567 -0.36031 -1.06543 -0.32073
|
|
4 4S 0.46520 1.85247 0.12841 1.80775 0.22834
|
|
5 5S 0.82930 1.01588 -0.69631 1.81584 -0.15654
|
|
6 6PX -0.17451 0.02429 0.04273 0.08424 0.10931
|
|
7 6PY 0.11270 0.04840 -0.12451 0.03695 -0.02586
|
|
8 6PZ 0.16258 0.05171 -0.15306 -0.10440 -0.01970
|
|
9 7PX -0.06427 0.45299 -0.11960 -0.06159 -0.05407
|
|
10 7PY -0.12521 -0.26221 0.03418 -0.15974 -0.04479
|
|
11 7PZ -0.39895 -0.02425 -0.03964 -0.17061 -0.04681
|
|
12 8PX -0.45223 -1.29309 0.26221 -0.21726 1.07395
|
|
13 8PY 0.47449 0.77774 0.19077 1.37684 0.17694
|
|
14 8PZ 0.85436 0.78942 -0.62286 0.40306 0.20930
|
|
15 9PX -0.28975 -0.57682 0.11432 -0.10088 0.09444
|
|
16 9PY 0.30305 0.31139 0.18050 0.03273 0.07378
|
|
17 9PZ 0.22378 0.11285 -0.13785 0.42990 0.04166
|
|
18 10D 0 0.05382 -0.03399 0.04901 0.01143 0.01014
|
|
19 10D+1 -0.01766 0.05524 -0.02083 0.07696 -0.00232
|
|
20 10D-1 -0.01205 0.00952 0.05088 0.03830 -0.00676
|
|
21 10D+2 -0.03525 0.09247 0.02709 -0.02740 0.02367
|
|
22 10D-2 0.02270 -0.02118 -0.01315 -0.02981 -0.02837
|
|
23 11D 0 -0.06948 0.11469 -0.40694 -0.24358 0.29691
|
|
24 11D+1 -0.49298 -0.36089 0.13366 0.00150 0.28206
|
|
25 11D-1 -0.01256 0.16454 0.00737 -0.00186 -0.46957
|
|
26 11D+2 -0.06858 -0.22591 0.06387 -0.27602 -0.15338
|
|
27 11D-2 -0.47483 -0.04556 0.23473 -0.23385 -0.18840
|
|
28 12D 0 0.30056 -0.05536 -0.19951 0.01753 0.38693
|
|
29 12D+1 -0.25004 -0.05738 -0.24744 0.30055 0.19994
|
|
30 12D-1 0.13020 0.34827 0.23209 0.36397 -0.40089
|
|
31 12D+2 0.06673 0.43322 0.10470 -0.21552 -0.19967
|
|
32 12D-2 -0.09955 0.01601 -0.18384 -0.31813 -0.43283
|
|
33 13F 0 -0.00466 0.02090 0.01989 0.02369 -0.00310
|
|
34 13F+1 0.03746 0.05823 -0.00082 0.05063 0.02226
|
|
35 13F-1 -0.08974 0.06530 -0.06730 -0.01149 0.01682
|
|
36 13F+2 -0.01946 -0.04427 0.00880 -0.02054 0.01183
|
|
37 13F-2 -0.00618 0.04271 -0.02205 0.06562 0.01509
|
|
38 13F+3 -0.04298 -0.02107 0.03403 -0.02157 0.02842
|
|
39 13F-3 -0.10558 -0.01423 -0.03241 0.01561 -0.01502
|
|
40 14F 0 0.10211 -0.01961 -0.36021 -0.16734 0.26744
|
|
41 14F+1 -0.12481 -0.04810 -0.22073 0.00361 -0.00001
|
|
42 14F-1 0.06393 0.06012 0.19747 0.05341 -0.19289
|
|
43 14F+2 0.06437 -0.02612 0.00798 -0.21004 0.36515
|
|
44 14F-2 0.08744 -0.10674 0.54178 0.15284 0.44763
|
|
45 14F+3 -0.05815 0.07365 -0.51195 0.18280 0.41670
|
|
46 14F-3 0.24058 -0.04319 0.08663 0.22222 0.32152
|
|
47 15G 0 0.15489 0.00139 -0.18022 -0.14233 0.16342
|
|
48 15G+1 -0.02650 0.05398 -0.00418 -0.10530 0.14403
|
|
49 15G-1 -0.01720 0.05743 -0.17383 0.08288 0.06544
|
|
50 15G+2 -0.12520 -0.08062 -0.28736 0.09782 0.27648
|
|
51 15G-2 -0.11979 0.13511 -0.02794 0.21173 0.00363
|
|
52 15G+3 0.06685 0.03732 0.11686 -0.03426 0.02096
|
|
53 15G-3 0.00368 0.00932 0.06586 -0.18961 -0.09994
|
|
54 15G+4 -0.08433 0.12222 -0.02250 -0.09804 -0.35760
|
|
55 15G-4 -0.01651 -0.02910 0.02278 -0.10932 0.07994
|
|
56 2 N 1S -0.00528 0.02631 0.00745 -0.02252 0.01018
|
|
57 2S -0.01081 -0.11994 -0.05516 0.10778 -0.04749
|
|
58 3S -0.18765 -1.13567 -0.36031 1.06543 -0.32073
|
|
59 4S 0.46520 1.85247 0.12841 -1.80775 0.22834
|
|
60 5S 0.82930 1.01588 -0.69631 -1.81584 -0.15654
|
|
61 6PX 0.17451 -0.02429 -0.04273 0.08424 -0.10931
|
|
62 6PY -0.11270 -0.04840 0.12451 0.03695 0.02586
|
|
63 6PZ 0.16258 0.05171 -0.15306 0.10440 -0.01970
|
|
64 7PX 0.06427 -0.45299 0.11960 -0.06159 0.05407
|
|
65 7PY 0.12521 0.26221 -0.03418 -0.15974 0.04479
|
|
66 7PZ -0.39895 -0.02425 -0.03964 0.17061 -0.04681
|
|
67 8PX 0.45223 1.29309 -0.26221 -0.21726 -1.07395
|
|
68 8PY -0.47449 -0.77774 -0.19077 1.37684 -0.17694
|
|
69 8PZ 0.85436 0.78942 -0.62286 -0.40306 0.20930
|
|
70 9PX 0.28975 0.57682 -0.11432 -0.10088 -0.09444
|
|
71 9PY -0.30305 -0.31139 -0.18050 0.03273 -0.07378
|
|
72 9PZ 0.22378 0.11285 -0.13785 -0.42990 0.04166
|
|
73 10D 0 0.05382 -0.03399 0.04901 -0.01143 0.01014
|
|
74 10D+1 0.01766 -0.05524 0.02083 0.07696 0.00232
|
|
75 10D-1 0.01205 -0.00952 -0.05088 0.03830 0.00676
|
|
76 10D+2 -0.03525 0.09247 0.02709 0.02740 0.02367
|
|
77 10D-2 0.02270 -0.02118 -0.01315 0.02981 -0.02837
|
|
78 11D 0 -0.06948 0.11469 -0.40694 0.24358 0.29691
|
|
79 11D+1 0.49298 0.36089 -0.13366 0.00150 -0.28206
|
|
80 11D-1 0.01256 -0.16454 -0.00737 -0.00186 0.46957
|
|
81 11D+2 -0.06858 -0.22591 0.06387 0.27602 -0.15338
|
|
82 11D-2 -0.47483 -0.04556 0.23473 0.23385 -0.18840
|
|
83 12D 0 0.30056 -0.05536 -0.19951 -0.01753 0.38693
|
|
84 12D+1 0.25004 0.05738 0.24744 0.30055 -0.19994
|
|
85 12D-1 -0.13020 -0.34827 -0.23209 0.36397 0.40089
|
|
86 12D+2 0.06673 0.43322 0.10470 0.21552 -0.19967
|
|
87 12D-2 -0.09955 0.01601 -0.18384 0.31813 -0.43283
|
|
88 13F 0 -0.00466 0.02090 0.01989 -0.02369 -0.00310
|
|
89 13F+1 -0.03746 -0.05823 0.00082 0.05063 -0.02226
|
|
90 13F-1 0.08974 -0.06530 0.06730 -0.01149 -0.01682
|
|
91 13F+2 -0.01946 -0.04427 0.00880 0.02054 0.01183
|
|
92 13F-2 -0.00618 0.04271 -0.02205 -0.06562 0.01509
|
|
93 13F+3 0.04298 0.02107 -0.03403 -0.02157 -0.02842
|
|
94 13F-3 0.10558 0.01423 0.03241 0.01561 0.01502
|
|
95 14F 0 0.10211 -0.01961 -0.36021 0.16734 0.26744
|
|
96 14F+1 0.12481 0.04810 0.22073 0.00361 0.00001
|
|
97 14F-1 -0.06393 -0.06012 -0.19747 0.05341 0.19289
|
|
98 14F+2 0.06437 -0.02612 0.00798 0.21004 0.36515
|
|
99 14F-2 0.08744 -0.10674 0.54178 -0.15284 0.44763
|
|
100 14F+3 0.05815 -0.07365 0.51195 0.18280 -0.41670
|
|
101 14F-3 -0.24058 0.04319 -0.08663 0.22222 -0.32152
|
|
102 15G 0 0.15489 0.00139 -0.18022 0.14233 0.16342
|
|
103 15G+1 0.02650 -0.05398 0.00418 -0.10530 -0.14403
|
|
104 15G-1 0.01720 -0.05743 0.17383 0.08288 -0.06544
|
|
105 15G+2 -0.12520 -0.08062 -0.28736 -0.09782 0.27648
|
|
106 15G-2 -0.11979 0.13511 -0.02794 -0.21173 0.00363
|
|
107 15G+3 -0.06685 -0.03732 -0.11686 -0.03426 -0.02096
|
|
108 15G-3 -0.00368 -0.00932 -0.06586 -0.18961 0.09994
|
|
109 15G+4 -0.08433 0.12222 -0.02250 0.09804 -0.35760
|
|
110 15G-4 -0.01651 -0.02910 0.02278 0.10932 0.07994
|
|
111 3 H 1S 0.18295 -0.06652 -0.01387 -0.06991 -0.03001
|
|
112 2S -0.38604 -0.24200 0.10193 -0.16017 -0.18651
|
|
113 3S -0.46357 -0.99878 0.82915 -1.52545 -0.21176
|
|
114 4S -0.14524 0.03787 0.05612 0.03532 0.05828
|
|
115 5PX 0.19463 0.26133 -0.20038 0.05878 -0.04961
|
|
116 5PY 0.03048 -0.25622 -0.14809 -0.18198 0.06527
|
|
117 5PZ 0.18998 -0.32320 0.01778 -0.27614 -0.20678
|
|
118 6PX 0.07300 0.05377 -0.02427 -0.05286 -0.17694
|
|
119 6PY -0.00343 0.20937 -0.35526 -0.05205 0.46142
|
|
120 6PZ -0.30857 0.57062 0.01662 0.54385 0.17682
|
|
121 7PX 0.43627 0.44340 -0.24007 0.08388 -0.19803
|
|
122 7PY 0.07105 -0.17202 -0.59041 -0.24006 0.43592
|
|
123 7PZ 0.12433 0.15687 -0.19553 0.37245 -0.18089
|
|
124 8D 0 -0.05404 -0.03811 0.14343 0.06165 -0.11225
|
|
125 8D+1 0.05345 0.04399 0.02525 -0.04874 -0.11305
|
|
126 8D-1 0.01035 -0.10375 -0.00539 -0.05508 0.10424
|
|
127 8D+2 -0.05927 0.00045 0.01134 0.03278 -0.08942
|
|
128 8D-2 -0.01197 -0.05338 -0.03964 -0.00308 0.01489
|
|
129 9D 0 0.31192 0.00178 -0.33790 -0.19779 0.33862
|
|
130 9D+1 -0.27753 -0.33225 0.30981 0.04887 0.44049
|
|
131 9D-1 0.11594 0.17307 0.49940 0.37668 -0.52509
|
|
132 9D+2 -0.11453 -0.19826 -0.21982 -0.11732 0.27565
|
|
133 9D-2 -0.23724 -0.05259 0.09902 0.15438 -0.10320
|
|
134 10F 0 -0.17728 -0.10914 0.25228 -0.01512 -0.22798
|
|
135 10F+1 0.09697 0.14880 -0.41182 -0.06145 -0.38730
|
|
136 10F-1 -0.21978 -0.16986 -0.24881 -0.38819 0.14851
|
|
137 10F+2 0.20785 0.11340 0.19942 0.05038 -0.13967
|
|
138 10F-2 0.27044 0.00402 -0.06216 -0.19551 0.09069
|
|
139 10F+3 -0.07271 -0.06064 -0.06626 0.03639 -0.09264
|
|
140 10F-3 0.05313 0.14740 0.00303 0.05644 0.04547
|
|
141 4 H 1S 0.06207 0.01624 -0.00352 -0.09400 -0.03837
|
|
142 2S -0.28516 -0.32632 -0.19123 -0.21188 0.31551
|
|
143 3S -0.29998 -1.15901 0.07035 -1.05072 0.22919
|
|
144 4S -0.08999 -0.02940 0.04210 0.07106 0.00116
|
|
145 5PX -0.18877 0.26918 0.08740 0.36405 -0.04884
|
|
146 5PY -0.25320 -0.16658 -0.01748 -0.22168 -0.15939
|
|
147 5PZ -0.22336 -0.03076 -0.01238 -0.19270 0.06288
|
|
148 6PX 0.00492 -0.29467 -0.15302 -0.76539 -0.00344
|
|
149 6PY 0.13641 0.22716 0.17800 -0.09896 -0.50587
|
|
150 6PZ 0.00939 -0.17355 -0.02318 0.18987 0.17664
|
|
151 7PX -0.18158 -0.03043 0.04203 -0.23694 -0.16442
|
|
152 7PY -0.34337 -0.01326 0.00473 -0.40560 -0.63951
|
|
153 7PZ -0.34230 -0.25784 -0.06846 -0.09008 0.19314
|
|
154 8D 0 -0.05547 -0.03015 0.05204 0.01636 -0.08907
|
|
155 8D+1 0.01730 0.04488 0.02108 -0.04883 -0.01478
|
|
156 8D-1 0.01303 0.05907 -0.03253 -0.04158 0.05430
|
|
157 8D+2 -0.15531 -0.04942 -0.00057 0.05390 0.17951
|
|
158 8D-2 0.03191 -0.06023 -0.01050 0.13456 0.11039
|
|
159 9D 0 -0.12379 -0.21214 -0.12892 0.03761 0.09763
|
|
160 9D+1 -0.28902 -0.14410 0.07697 0.02127 0.24907
|
|
161 9D-1 0.08269 0.00021 0.18357 -0.17978 -0.13792
|
|
162 9D+2 -0.18886 0.23763 0.00346 -0.34555 -0.52310
|
|
163 9D-2 -0.22504 -0.12484 0.20233 -0.46522 -0.71403
|
|
164 10F 0 0.17951 -0.06215 -0.11060 -0.01180 -0.07897
|
|
165 10F+1 -0.09011 -0.29087 -0.14373 0.01158 0.09842
|
|
166 10F-1 0.11093 0.21915 -0.02371 0.12853 0.12364
|
|
167 10F+2 -0.19052 0.06418 0.27722 -0.03811 0.25419
|
|
168 10F-2 0.16073 -0.10369 0.25723 -0.18802 -0.09048
|
|
169 10F+3 -0.37930 0.19725 -0.03667 -0.08093 -0.26077
|
|
170 10F-3 -0.04242 -0.33618 0.12236 -0.28000 -0.31152
|
|
171 5 H 1S 0.18295 -0.06652 -0.01387 0.06991 -0.03001
|
|
172 2S -0.38604 -0.24200 0.10193 0.16017 -0.18651
|
|
173 3S -0.46357 -0.99878 0.82915 1.52545 -0.21176
|
|
174 4S -0.14524 0.03787 0.05612 -0.03532 0.05828
|
|
175 5PX -0.19463 -0.26133 0.20038 0.05878 0.04961
|
|
176 5PY -0.03048 0.25622 0.14809 -0.18198 -0.06527
|
|
177 5PZ 0.18998 -0.32320 0.01778 0.27614 -0.20678
|
|
178 6PX -0.07300 -0.05377 0.02427 -0.05286 0.17694
|
|
179 6PY 0.00343 -0.20937 0.35526 -0.05205 -0.46142
|
|
180 6PZ -0.30857 0.57062 0.01662 -0.54385 0.17682
|
|
181 7PX -0.43627 -0.44340 0.24007 0.08388 0.19803
|
|
182 7PY -0.07105 0.17202 0.59041 -0.24006 -0.43592
|
|
183 7PZ 0.12433 0.15687 -0.19553 -0.37245 -0.18089
|
|
184 8D 0 -0.05404 -0.03811 0.14343 -0.06165 -0.11225
|
|
185 8D+1 -0.05345 -0.04399 -0.02525 -0.04874 0.11305
|
|
186 8D-1 -0.01035 0.10375 0.00539 -0.05508 -0.10424
|
|
187 8D+2 -0.05927 0.00045 0.01134 -0.03278 -0.08942
|
|
188 8D-2 -0.01197 -0.05338 -0.03964 0.00308 0.01489
|
|
189 9D 0 0.31192 0.00178 -0.33790 0.19779 0.33862
|
|
190 9D+1 0.27753 0.33225 -0.30981 0.04887 -0.44049
|
|
191 9D-1 -0.11594 -0.17307 -0.49940 0.37668 0.52509
|
|
192 9D+2 -0.11453 -0.19826 -0.21982 0.11732 0.27565
|
|
193 9D-2 -0.23724 -0.05259 0.09902 -0.15438 -0.10320
|
|
194 10F 0 -0.17728 -0.10914 0.25228 0.01512 -0.22798
|
|
195 10F+1 -0.09697 -0.14880 0.41182 -0.06145 0.38730
|
|
196 10F-1 0.21978 0.16986 0.24881 -0.38819 -0.14851
|
|
197 10F+2 0.20785 0.11340 0.19942 -0.05038 -0.13967
|
|
198 10F-2 0.27044 0.00402 -0.06216 0.19551 0.09069
|
|
199 10F+3 0.07271 0.06064 0.06626 0.03639 0.09264
|
|
200 10F-3 -0.05313 -0.14740 -0.00303 0.05644 -0.04547
|
|
201 6 H 1S 0.06207 0.01624 -0.00352 0.09400 -0.03837
|
|
202 2S -0.28516 -0.32632 -0.19123 0.21188 0.31551
|
|
203 3S -0.29998 -1.15901 0.07035 1.05072 0.22919
|
|
204 4S -0.08999 -0.02940 0.04210 -0.07106 0.00116
|
|
205 5PX 0.18877 -0.26918 -0.08740 0.36405 0.04884
|
|
206 5PY 0.25320 0.16658 0.01748 -0.22168 0.15939
|
|
207 5PZ -0.22336 -0.03076 -0.01238 0.19270 0.06288
|
|
208 6PX -0.00492 0.29467 0.15302 -0.76539 0.00344
|
|
209 6PY -0.13641 -0.22716 -0.17800 -0.09896 0.50587
|
|
210 6PZ 0.00939 -0.17355 -0.02318 -0.18987 0.17664
|
|
211 7PX 0.18158 0.03043 -0.04203 -0.23694 0.16442
|
|
212 7PY 0.34337 0.01326 -0.00473 -0.40560 0.63951
|
|
213 7PZ -0.34230 -0.25784 -0.06846 0.09008 0.19314
|
|
214 8D 0 -0.05547 -0.03015 0.05204 -0.01636 -0.08907
|
|
215 8D+1 -0.01730 -0.04488 -0.02108 -0.04883 0.01478
|
|
216 8D-1 -0.01303 -0.05907 0.03253 -0.04158 -0.05430
|
|
217 8D+2 -0.15531 -0.04942 -0.00057 -0.05390 0.17951
|
|
218 8D-2 0.03191 -0.06023 -0.01050 -0.13456 0.11039
|
|
219 9D 0 -0.12379 -0.21214 -0.12892 -0.03761 0.09763
|
|
220 9D+1 0.28902 0.14410 -0.07697 0.02127 -0.24907
|
|
221 9D-1 -0.08269 -0.00021 -0.18357 -0.17978 0.13792
|
|
222 9D+2 -0.18886 0.23763 0.00346 0.34555 -0.52310
|
|
223 9D-2 -0.22504 -0.12484 0.20233 0.46522 -0.71403
|
|
224 10F 0 0.17951 -0.06215 -0.11060 0.01180 -0.07897
|
|
225 10F+1 0.09011 0.29087 0.14373 0.01158 -0.09842
|
|
226 10F-1 -0.11093 -0.21915 0.02371 0.12853 -0.12364
|
|
227 10F+2 -0.19052 0.06418 0.27722 0.03811 0.25419
|
|
228 10F-2 0.16073 -0.10369 0.25723 0.18802 -0.09048
|
|
229 10F+3 0.37930 -0.19725 0.03667 -0.08093 0.26077
|
|
230 10F-3 0.04242 0.33618 -0.12236 -0.28000 0.31152
|
|
146 147 148 149 150
|
|
V V V V V
|
|
Eigenvalues -- 7.65789 7.72021 7.81685 7.84673 7.87041
|
|
1 1 N 1S 0.00044 -0.00948 0.00300 0.02757 0.00989
|
|
2 2S -0.04170 0.03891 -0.04012 -0.13606 -0.11897
|
|
3 3S -0.33549 0.26022 -0.35371 -1.10840 -0.93462
|
|
4 4S 0.46113 -0.04550 0.56251 1.14912 0.36526
|
|
5 5S -0.34994 0.27340 0.72309 0.58973 -0.27632
|
|
6 6PX 0.00053 -0.00855 0.01454 -0.00675 -0.03267
|
|
7 6PY -0.02248 -0.07626 0.05493 0.14534 -0.07565
|
|
8 6PZ -0.00911 -0.03274 0.00495 0.03023 0.07976
|
|
9 7PX 0.13555 0.09525 0.02965 0.25687 0.28620
|
|
10 7PY -0.02046 0.16602 -0.24462 -0.40347 -0.16230
|
|
11 7PZ 0.03894 0.24564 -0.08982 -0.26152 -0.26242
|
|
12 8PX 1.06473 0.53831 -0.90074 -0.55840 0.40666
|
|
13 8PY -0.36871 0.21723 1.11643 -0.47058 1.06364
|
|
14 8PZ -0.35800 1.10472 -0.92714 1.10099 -0.04979
|
|
15 9PX 0.12063 -0.02046 -0.30528 0.03363 0.20025
|
|
16 9PY -0.01419 0.11037 0.32343 -0.11261 0.40090
|
|
17 9PZ -0.25455 0.17032 -0.09339 0.19168 -0.24985
|
|
18 10D 0 -0.02459 -0.02957 0.05595 0.00065 0.00118
|
|
19 10D+1 0.02198 -0.00819 0.03494 0.05786 0.07960
|
|
20 10D-1 0.05901 -0.02127 0.11944 0.08078 0.05039
|
|
21 10D+2 0.03391 0.02606 0.03455 0.07120 0.03336
|
|
22 10D-2 -0.01355 0.01586 -0.03639 -0.06260 -0.06932
|
|
23 11D 0 -0.13363 -0.04734 0.09035 0.08746 -0.21890
|
|
24 11D+1 0.45429 -0.26695 0.16367 -0.06600 0.03160
|
|
25 11D-1 0.08147 0.29986 -0.14240 -0.08547 0.12451
|
|
26 11D+2 0.00291 -0.15170 -0.06350 0.31629 -0.32611
|
|
27 11D-2 0.40734 0.00069 -0.21271 0.22692 0.00648
|
|
28 12D 0 -0.25003 0.01927 0.16938 0.19568 -0.18638
|
|
29 12D+1 0.47173 -0.37812 0.24220 -0.03834 0.62781
|
|
30 12D-1 0.18503 0.05204 0.48533 0.07164 0.33565
|
|
31 12D+2 -0.09210 0.01738 0.25995 0.54757 -0.12750
|
|
32 12D-2 0.31592 -0.24113 -0.22975 0.03301 -0.36070
|
|
33 13F 0 -0.04736 -0.00696 -0.06166 -0.07083 -0.07033
|
|
34 13F+1 -0.10146 0.05166 -0.10930 -0.07707 -0.06990
|
|
35 13F-1 -0.06670 0.01637 -0.08724 0.02243 -0.09597
|
|
36 13F+2 0.04214 -0.03002 -0.01216 0.09851 0.10595
|
|
37 13F-2 0.00234 -0.00760 -0.01620 -0.12450 -0.07520
|
|
38 13F+3 -0.03898 0.02892 0.04930 0.07294 0.07766
|
|
39 13F-3 -0.03240 -0.03002 -0.02657 -0.02181 -0.15881
|
|
40 14F 0 -0.07476 -0.17642 0.46374 0.19270 -0.11099
|
|
41 14F+1 0.34934 0.34041 -0.28286 0.34809 0.30039
|
|
42 14F-1 0.11315 -0.07480 0.26079 -0.04782 0.08892
|
|
43 14F+2 0.29503 0.42843 -0.09829 0.12172 -0.32771
|
|
44 14F-2 0.35006 -0.17556 0.20525 -0.05706 0.15214
|
|
45 14F+3 0.02375 0.24324 -0.02649 -0.43047 -0.00338
|
|
46 14F-3 0.08618 0.15364 0.11591 -0.02256 0.17229
|
|
47 15G 0 -0.17827 0.09594 -0.06878 0.27049 -0.21881
|
|
48 15G+1 0.03302 0.25177 -0.29935 0.10160 0.04186
|
|
49 15G-1 -0.05722 0.18494 -0.01474 -0.10253 -0.05889
|
|
50 15G+2 0.14624 -0.08069 0.02208 0.01671 -0.05218
|
|
51 15G-2 0.33428 0.02275 -0.09672 -0.03176 0.20192
|
|
52 15G+3 -0.13589 -0.10160 0.08069 -0.05097 -0.16733
|
|
53 15G-3 -0.03727 0.33516 -0.21051 0.19618 -0.20128
|
|
54 15G+4 0.07984 -0.22036 -0.10207 0.18919 -0.20444
|
|
55 15G-4 0.26743 -0.00941 -0.12511 0.10624 0.05317
|
|
56 2 N 1S -0.00044 -0.00948 -0.00300 0.02757 0.00989
|
|
57 2S 0.04170 0.03891 0.04012 -0.13606 -0.11897
|
|
58 3S 0.33549 0.26022 0.35371 -1.10840 -0.93462
|
|
59 4S -0.46113 -0.04550 -0.56251 1.14912 0.36526
|
|
60 5S 0.34994 0.27340 -0.72309 0.58973 -0.27632
|
|
61 6PX 0.00053 0.00855 0.01454 0.00675 0.03267
|
|
62 6PY -0.02248 0.07626 0.05493 -0.14534 0.07565
|
|
63 6PZ 0.00911 -0.03274 -0.00495 0.03023 0.07976
|
|
64 7PX 0.13555 -0.09525 0.02965 -0.25687 -0.28620
|
|
65 7PY -0.02046 -0.16602 -0.24462 0.40347 0.16230
|
|
66 7PZ -0.03894 0.24564 0.08982 -0.26152 -0.26242
|
|
67 8PX 1.06473 -0.53831 -0.90074 0.55840 -0.40666
|
|
68 8PY -0.36871 -0.21723 1.11643 0.47058 -1.06364
|
|
69 8PZ 0.35800 1.10472 0.92714 1.10099 -0.04979
|
|
70 9PX 0.12063 0.02046 -0.30528 -0.03363 -0.20025
|
|
71 9PY -0.01419 -0.11037 0.32343 0.11261 -0.40090
|
|
72 9PZ 0.25455 0.17032 0.09339 0.19168 -0.24985
|
|
73 10D 0 0.02459 -0.02957 -0.05595 0.00065 0.00118
|
|
74 10D+1 0.02198 0.00819 0.03494 -0.05786 -0.07960
|
|
75 10D-1 0.05901 0.02127 0.11944 -0.08078 -0.05039
|
|
76 10D+2 -0.03391 0.02606 -0.03455 0.07120 0.03336
|
|
77 10D-2 0.01355 0.01586 0.03639 -0.06260 -0.06932
|
|
78 11D 0 0.13363 -0.04734 -0.09035 0.08746 -0.21890
|
|
79 11D+1 0.45429 0.26695 0.16367 0.06600 -0.03160
|
|
80 11D-1 0.08147 -0.29986 -0.14240 0.08547 -0.12451
|
|
81 11D+2 -0.00291 -0.15170 0.06350 0.31629 -0.32611
|
|
82 11D-2 -0.40734 0.00069 0.21271 0.22692 0.00648
|
|
83 12D 0 0.25003 0.01927 -0.16938 0.19568 -0.18638
|
|
84 12D+1 0.47173 0.37812 0.24220 0.03834 -0.62781
|
|
85 12D-1 0.18503 -0.05204 0.48533 -0.07164 -0.33565
|
|
86 12D+2 0.09210 0.01738 -0.25995 0.54757 -0.12750
|
|
87 12D-2 -0.31592 -0.24113 0.22975 0.03301 -0.36070
|
|
88 13F 0 0.04736 -0.00696 0.06166 -0.07083 -0.07033
|
|
89 13F+1 -0.10146 -0.05166 -0.10930 0.07707 0.06990
|
|
90 13F-1 -0.06670 -0.01637 -0.08724 -0.02243 0.09597
|
|
91 13F+2 -0.04214 -0.03002 0.01216 0.09851 0.10595
|
|
92 13F-2 -0.00234 -0.00760 0.01620 -0.12450 -0.07520
|
|
93 13F+3 -0.03898 -0.02892 0.04930 -0.07294 -0.07766
|
|
94 13F-3 -0.03240 0.03002 -0.02657 0.02181 0.15881
|
|
95 14F 0 0.07476 -0.17642 -0.46374 0.19270 -0.11099
|
|
96 14F+1 0.34934 -0.34041 -0.28286 -0.34809 -0.30039
|
|
97 14F-1 0.11315 0.07480 0.26079 0.04782 -0.08892
|
|
98 14F+2 -0.29503 0.42843 0.09829 0.12172 -0.32771
|
|
99 14F-2 -0.35006 -0.17556 -0.20525 -0.05706 0.15214
|
|
100 14F+3 0.02375 -0.24324 -0.02649 0.43047 0.00338
|
|
101 14F-3 0.08618 -0.15364 0.11591 0.02256 -0.17229
|
|
102 15G 0 0.17827 0.09594 0.06878 0.27049 -0.21881
|
|
103 15G+1 0.03302 -0.25177 -0.29935 -0.10160 -0.04186
|
|
104 15G-1 -0.05722 -0.18494 -0.01474 0.10253 0.05889
|
|
105 15G+2 -0.14624 -0.08069 -0.02208 0.01671 -0.05218
|
|
106 15G-2 -0.33428 0.02275 0.09672 -0.03176 0.20192
|
|
107 15G+3 -0.13589 0.10160 0.08069 0.05097 0.16733
|
|
108 15G-3 -0.03727 -0.33516 -0.21051 -0.19618 0.20128
|
|
109 15G+4 -0.07984 -0.22036 0.10207 0.18919 -0.20444
|
|
110 15G-4 -0.26743 -0.00941 0.12511 0.10624 0.05317
|
|
111 3 H 1S 0.09666 -0.12440 0.26886 0.17410 0.22888
|
|
112 2S -0.42108 -0.13000 -0.45697 -0.64935 -0.81876
|
|
113 3S 0.31688 -0.64169 -0.09492 -0.31342 0.65388
|
|
114 4S 0.02278 0.11218 -0.26953 -0.03133 -0.01760
|
|
115 5PX -0.03336 -0.14511 0.25389 0.00645 0.14783
|
|
116 5PY -0.02052 -0.31960 0.21961 0.18777 -0.03600
|
|
117 5PZ 0.17172 -0.18046 0.47104 0.05791 0.19624
|
|
118 6PX -0.54318 0.07209 0.00989 -0.02082 -0.34535
|
|
119 6PY 0.02413 0.54606 -0.34908 0.20116 -0.25564
|
|
120 6PZ 0.12477 0.48342 -0.54031 -0.03914 0.06376
|
|
121 7PX -0.64746 -0.09215 0.43777 -0.08714 -0.26965
|
|
122 7PY -0.14722 0.03078 -0.03466 0.42626 -0.66814
|
|
123 7PZ 0.19499 0.02243 0.32835 -0.10534 0.04997
|
|
124 8D 0 0.13480 -0.08167 0.14820 -0.12483 0.12518
|
|
125 8D+1 -0.26100 -0.09862 0.14381 -0.01041 -0.04882
|
|
126 8D-1 -0.03767 -0.00764 0.03105 0.12920 -0.13611
|
|
127 8D+2 -0.04969 0.12033 0.03810 -0.11417 -0.04754
|
|
128 8D-2 0.04657 -0.06606 0.24665 0.13397 -0.07504
|
|
129 9D 0 -0.44105 -0.11001 0.03808 0.43969 -0.30121
|
|
130 9D+1 0.80673 0.14422 -0.34805 0.21410 0.22811
|
|
131 9D-1 -0.01757 -0.22655 0.12708 -0.27838 0.59147
|
|
132 9D+2 0.09914 -0.04424 -0.25744 0.23792 0.00003
|
|
133 9D-2 0.28616 0.11769 -0.26210 -0.14312 0.36520
|
|
134 10F 0 0.26956 0.16017 -0.10332 -0.22400 0.14150
|
|
135 10F+1 -0.36137 0.03898 -0.00954 -0.25054 0.01859
|
|
136 10F-1 0.13935 0.19371 -0.02416 -0.09418 -0.28590
|
|
137 10F+2 -0.01441 0.12614 0.17066 -0.12393 -0.04666
|
|
138 10F-2 -0.23778 -0.03899 0.16840 0.00313 -0.26716
|
|
139 10F+3 0.00673 0.11927 0.02608 -0.03586 0.03608
|
|
140 10F-3 0.04741 -0.03465 0.11942 -0.05142 -0.17278
|
|
141 4 H 1S 0.12017 0.01118 0.07168 0.22655 0.23086
|
|
142 2S 0.05619 0.37594 -0.65077 -0.65658 -0.70952
|
|
143 3S 0.41602 0.12287 -0.93568 -0.17306 0.67190
|
|
144 4S -0.11636 -0.12173 -0.08127 -0.13981 -0.12446
|
|
145 5PX -0.18806 -0.16971 0.05151 -0.27588 -0.36818
|
|
146 5PY 0.19834 0.08347 0.05180 0.18959 -0.05792
|
|
147 5PZ -0.15408 -0.08655 -0.05557 -0.10601 -0.08490
|
|
148 6PX 0.38036 0.47729 -0.52187 0.36637 0.33038
|
|
149 6PY -0.20023 -0.45665 -0.06182 0.17888 -0.20942
|
|
150 6PZ 0.23337 -0.42490 0.43394 -0.22083 0.15082
|
|
151 7PX -0.04383 -0.01935 -0.30153 0.00744 -0.02267
|
|
152 7PY 0.15571 -0.20361 0.00260 0.51027 -0.56202
|
|
153 7PZ 0.08538 -0.58224 0.35163 -0.43109 0.21461
|
|
154 8D 0 -0.09500 0.04268 -0.04557 -0.01780 -0.13990
|
|
155 8D+1 -0.04404 0.29806 -0.24060 0.19450 0.02544
|
|
156 8D-1 -0.11925 0.03390 0.02955 -0.15789 -0.14448
|
|
157 8D+2 0.05409 0.06920 0.05399 -0.08569 0.06083
|
|
158 8D-2 -0.06731 0.08113 0.09562 -0.16416 0.14779
|
|
159 9D 0 0.11038 -0.26681 0.20432 -0.22933 0.00237
|
|
160 9D+1 0.13343 -0.80747 0.66962 -0.38166 0.07284
|
|
161 9D-1 0.09535 0.09891 -0.21756 0.29234 -0.14952
|
|
162 9D+2 0.12383 0.00977 -0.29729 0.52491 -0.01829
|
|
163 9D-2 0.05553 -0.41674 -0.13575 0.38836 -0.55366
|
|
164 10F 0 -0.06171 0.20856 -0.22545 -0.00394 -0.00863
|
|
165 10F+1 0.09552 -0.12433 0.11430 -0.21502 -0.04664
|
|
166 10F-1 0.03468 0.00790 -0.04275 -0.01120 0.01655
|
|
167 10F+2 0.15210 -0.31293 0.21554 0.04939 -0.01233
|
|
168 10F-2 0.06269 0.08060 -0.13470 0.09408 -0.17462
|
|
169 10F+3 0.21161 0.03782 -0.19805 0.35547 0.05791
|
|
170 10F-3 -0.02490 -0.20465 -0.03114 0.02172 -0.26996
|
|
171 5 H 1S -0.09666 -0.12440 -0.26886 0.17410 0.22888
|
|
172 2S 0.42108 -0.13000 0.45697 -0.64935 -0.81876
|
|
173 3S -0.31688 -0.64169 0.09492 -0.31342 0.65388
|
|
174 4S -0.02278 0.11218 0.26953 -0.03133 -0.01760
|
|
175 5PX -0.03336 0.14511 0.25389 -0.00645 -0.14783
|
|
176 5PY -0.02052 0.31960 0.21961 -0.18777 0.03600
|
|
177 5PZ -0.17172 -0.18046 -0.47104 0.05791 0.19624
|
|
178 6PX -0.54318 -0.07209 0.00989 0.02082 0.34535
|
|
179 6PY 0.02413 -0.54606 -0.34908 -0.20116 0.25564
|
|
180 6PZ -0.12477 0.48342 0.54031 -0.03914 0.06376
|
|
181 7PX -0.64746 0.09215 0.43777 0.08714 0.26965
|
|
182 7PY -0.14722 -0.03078 -0.03466 -0.42626 0.66814
|
|
183 7PZ -0.19499 0.02243 -0.32835 -0.10534 0.04997
|
|
184 8D 0 -0.13480 -0.08167 -0.14820 -0.12483 0.12518
|
|
185 8D+1 -0.26100 0.09862 0.14381 0.01041 0.04882
|
|
186 8D-1 -0.03767 0.00764 0.03105 -0.12920 0.13611
|
|
187 8D+2 0.04969 0.12033 -0.03810 -0.11417 -0.04754
|
|
188 8D-2 -0.04657 -0.06606 -0.24665 0.13397 -0.07504
|
|
189 9D 0 0.44105 -0.11001 -0.03808 0.43969 -0.30121
|
|
190 9D+1 0.80673 -0.14422 -0.34805 -0.21410 -0.22811
|
|
191 9D-1 -0.01757 0.22655 0.12708 0.27838 -0.59147
|
|
192 9D+2 -0.09914 -0.04424 0.25744 0.23792 0.00003
|
|
193 9D-2 -0.28616 0.11769 0.26210 -0.14312 0.36520
|
|
194 10F 0 -0.26956 0.16017 0.10332 -0.22400 0.14150
|
|
195 10F+1 -0.36137 -0.03898 -0.00954 0.25054 -0.01859
|
|
196 10F-1 0.13935 -0.19371 -0.02416 0.09418 0.28590
|
|
197 10F+2 0.01441 0.12614 -0.17066 -0.12393 -0.04666
|
|
198 10F-2 0.23778 -0.03899 -0.16840 0.00313 -0.26716
|
|
199 10F+3 0.00673 -0.11927 0.02608 0.03586 -0.03608
|
|
200 10F-3 0.04741 0.03465 0.11942 0.05142 0.17278
|
|
201 6 H 1S -0.12017 0.01118 -0.07168 0.22655 0.23086
|
|
202 2S -0.05619 0.37594 0.65077 -0.65658 -0.70952
|
|
203 3S -0.41602 0.12287 0.93568 -0.17306 0.67190
|
|
204 4S 0.11636 -0.12173 0.08127 -0.13981 -0.12446
|
|
205 5PX -0.18806 0.16971 0.05151 0.27588 0.36818
|
|
206 5PY 0.19834 -0.08347 0.05180 -0.18959 0.05792
|
|
207 5PZ 0.15408 -0.08655 0.05557 -0.10601 -0.08490
|
|
208 6PX 0.38036 -0.47729 -0.52187 -0.36637 -0.33038
|
|
209 6PY -0.20023 0.45665 -0.06182 -0.17888 0.20942
|
|
210 6PZ -0.23337 -0.42490 -0.43394 -0.22083 0.15082
|
|
211 7PX -0.04383 0.01935 -0.30153 -0.00744 0.02267
|
|
212 7PY 0.15571 0.20361 0.00260 -0.51027 0.56202
|
|
213 7PZ -0.08538 -0.58224 -0.35163 -0.43109 0.21461
|
|
214 8D 0 0.09500 0.04268 0.04557 -0.01780 -0.13990
|
|
215 8D+1 -0.04404 -0.29806 -0.24060 -0.19450 -0.02544
|
|
216 8D-1 -0.11925 -0.03390 0.02955 0.15789 0.14448
|
|
217 8D+2 -0.05409 0.06920 -0.05399 -0.08569 0.06083
|
|
218 8D-2 0.06731 0.08113 -0.09562 -0.16416 0.14779
|
|
219 9D 0 -0.11038 -0.26681 -0.20432 -0.22933 0.00237
|
|
220 9D+1 0.13343 0.80747 0.66962 0.38166 -0.07284
|
|
221 9D-1 0.09535 -0.09891 -0.21756 -0.29234 0.14952
|
|
222 9D+2 -0.12383 0.00977 0.29729 0.52491 -0.01829
|
|
223 9D-2 -0.05553 -0.41674 0.13575 0.38836 -0.55366
|
|
224 10F 0 0.06171 0.20856 0.22545 -0.00394 -0.00863
|
|
225 10F+1 0.09552 0.12433 0.11430 0.21502 0.04664
|
|
226 10F-1 0.03468 -0.00790 -0.04275 0.01120 -0.01655
|
|
227 10F+2 -0.15210 -0.31293 -0.21554 0.04939 -0.01233
|
|
228 10F-2 -0.06269 0.08060 0.13470 0.09408 -0.17462
|
|
229 10F+3 0.21161 -0.03782 -0.19805 -0.35547 -0.05791
|
|
230 10F-3 -0.02490 0.20465 -0.03114 -0.02172 0.26996
|
|
151 152 153 154 155
|
|
V V V V V
|
|
Eigenvalues -- 7.90846 7.94341 7.97480 8.00671 8.08451
|
|
1 1 N 1S -0.04120 -0.00933 -0.00190 -0.00596 0.00399
|
|
2 2S 0.24277 0.06262 -0.01381 0.00884 -0.00254
|
|
3 3S 2.01822 0.15470 -0.67064 -0.49302 0.16932
|
|
4 4S -1.48253 1.53208 2.38046 2.24846 -0.89822
|
|
5 5S -0.46640 1.08779 1.64780 1.51177 -0.24939
|
|
6 6PX -0.00144 -0.14002 -0.21864 -0.06493 -0.07313
|
|
7 6PY 0.10695 0.14901 -0.12514 0.05964 0.03629
|
|
8 6PZ 0.10931 -0.00289 0.10758 0.16078 -0.01943
|
|
9 7PX -0.36673 -0.03279 0.10879 0.12490 0.07885
|
|
10 7PY -0.11823 -0.02353 0.41121 -0.05636 -0.22889
|
|
11 7PZ 0.17405 0.16257 -0.14444 -0.17987 -0.08018
|
|
12 8PX 0.28936 -0.14589 -1.12277 -1.05952 -0.81297
|
|
13 8PY 2.93153 0.40410 -2.11731 0.91106 1.60327
|
|
14 8PZ 0.07344 -0.00674 -0.18078 1.72830 -0.78165
|
|
15 9PX -0.04617 -0.20555 -0.08990 -0.23733 -0.36086
|
|
16 9PY 0.74420 0.00167 -0.52792 0.14223 0.31848
|
|
17 9PZ 0.31661 0.05247 -0.18328 0.38017 -0.31942
|
|
18 10D 0 -0.00949 -0.05230 0.01862 0.00809 0.04647
|
|
19 10D+1 -0.11363 -0.05701 -0.01641 -0.05078 -0.02323
|
|
20 10D-1 -0.04383 -0.03303 0.06179 0.00719 -0.01857
|
|
21 10D+2 -0.00977 -0.00823 -0.08708 0.00283 0.02058
|
|
22 10D-2 0.05934 -0.08648 0.05762 0.03852 0.01745
|
|
23 11D 0 0.16649 -0.09427 -0.20602 0.18153 -0.34137
|
|
24 11D+1 0.20784 0.19819 0.06563 0.01547 -0.08446
|
|
25 11D-1 0.18984 0.18195 0.03569 0.19467 0.16513
|
|
26 11D+2 0.32530 0.30281 0.11487 0.08562 0.20888
|
|
27 11D-2 -0.18098 0.00273 -0.04192 -0.08733 0.18446
|
|
28 12D 0 0.29158 -0.14424 -0.25701 0.16522 -0.24608
|
|
29 12D+1 -0.16156 0.35550 0.16933 -0.48223 -0.18743
|
|
30 12D-1 0.25857 -0.02107 0.14256 0.29328 0.63480
|
|
31 12D+2 0.39147 0.29000 -0.35601 -0.00153 0.36875
|
|
32 12D-2 -0.14959 -0.01926 0.26281 -0.07730 0.13642
|
|
33 13F 0 0.06918 0.03628 0.05112 -0.02602 -0.07243
|
|
34 13F+1 0.06468 0.07169 0.03960 -0.02972 -0.02122
|
|
35 13F-1 0.10357 0.07642 -0.11960 0.00010 0.02485
|
|
36 13F+2 -0.03168 -0.02698 -0.02280 -0.03647 -0.06555
|
|
37 13F-2 0.17139 0.10082 -0.03637 0.01250 -0.01923
|
|
38 13F+3 0.00641 0.01135 -0.07929 0.01313 0.01024
|
|
39 13F-3 0.13039 -0.01900 0.03087 0.00596 0.05446
|
|
40 14F 0 -0.16462 -0.18198 0.23166 0.30185 -0.31729
|
|
41 14F+1 -0.03598 0.00052 0.06481 0.28816 -0.09903
|
|
42 14F-1 -0.24130 0.01294 0.29197 0.14956 -0.02098
|
|
43 14F+2 0.07777 0.04336 -0.21766 0.02064 -0.18735
|
|
44 14F-2 0.00159 0.26482 -0.16309 0.12551 0.12365
|
|
45 14F+3 0.11656 -0.59173 -0.12746 0.01681 -0.33208
|
|
46 14F-3 -0.19076 0.11834 0.00985 0.02311 -0.20149
|
|
47 15G 0 -0.05851 -0.08887 0.06270 0.29789 -0.29020
|
|
48 15G+1 0.00084 0.09819 -0.16196 -0.02516 -0.06575
|
|
49 15G-1 0.14457 0.08293 0.00518 0.23158 -0.07123
|
|
50 15G+2 -0.11129 0.06457 0.00312 -0.29834 -0.35908
|
|
51 15G-2 0.28801 0.26214 0.10561 0.07387 -0.06534
|
|
52 15G+3 0.03455 -0.08798 0.19941 -0.10985 -0.16369
|
|
53 15G-3 -0.09864 -0.11282 -0.09589 -0.06229 0.04936
|
|
54 15G+4 -0.18851 0.20395 0.40300 0.01094 0.11941
|
|
55 15G-4 -0.18646 -0.01385 0.06160 -0.06848 -0.08751
|
|
56 2 N 1S 0.04120 -0.00933 0.00190 -0.00596 -0.00399
|
|
57 2S -0.24277 0.06262 0.01381 0.00884 0.00254
|
|
58 3S -2.01822 0.15470 0.67064 -0.49302 -0.16932
|
|
59 4S 1.48253 1.53208 -2.38046 2.24846 0.89822
|
|
60 5S 0.46640 1.08779 -1.64780 1.51177 0.24939
|
|
61 6PX -0.00144 0.14002 -0.21864 0.06493 -0.07313
|
|
62 6PY 0.10695 -0.14901 -0.12514 -0.05964 0.03629
|
|
63 6PZ -0.10931 -0.00289 -0.10758 0.16078 0.01943
|
|
64 7PX -0.36673 0.03279 0.10879 -0.12490 0.07885
|
|
65 7PY -0.11823 0.02353 0.41121 0.05636 -0.22889
|
|
66 7PZ -0.17405 0.16257 0.14444 -0.17987 0.08018
|
|
67 8PX 0.28936 0.14589 -1.12277 1.05952 -0.81297
|
|
68 8PY 2.93153 -0.40410 -2.11731 -0.91106 1.60327
|
|
69 8PZ -0.07344 -0.00674 0.18078 1.72830 0.78165
|
|
70 9PX -0.04617 0.20555 -0.08990 0.23733 -0.36086
|
|
71 9PY 0.74420 -0.00167 -0.52792 -0.14223 0.31848
|
|
72 9PZ -0.31661 0.05247 0.18328 0.38017 0.31942
|
|
73 10D 0 0.00949 -0.05230 -0.01862 0.00809 -0.04647
|
|
74 10D+1 -0.11363 0.05701 -0.01641 0.05078 -0.02323
|
|
75 10D-1 -0.04383 0.03303 0.06179 -0.00719 -0.01857
|
|
76 10D+2 0.00977 -0.00823 0.08708 0.00283 -0.02058
|
|
77 10D-2 -0.05934 -0.08648 -0.05762 0.03852 -0.01745
|
|
78 11D 0 -0.16649 -0.09427 0.20602 0.18153 0.34137
|
|
79 11D+1 0.20784 -0.19819 0.06563 -0.01547 -0.08446
|
|
80 11D-1 0.18984 -0.18195 0.03569 -0.19467 0.16513
|
|
81 11D+2 -0.32530 0.30281 -0.11487 0.08562 -0.20888
|
|
82 11D-2 0.18098 0.00273 0.04192 -0.08733 -0.18446
|
|
83 12D 0 -0.29158 -0.14424 0.25701 0.16522 0.24608
|
|
84 12D+1 -0.16156 -0.35550 0.16933 0.48223 -0.18743
|
|
85 12D-1 0.25857 0.02107 0.14256 -0.29328 0.63480
|
|
86 12D+2 -0.39147 0.29000 0.35601 -0.00153 -0.36875
|
|
87 12D-2 0.14959 -0.01926 -0.26281 -0.07730 -0.13642
|
|
88 13F 0 -0.06918 0.03628 -0.05112 -0.02602 0.07243
|
|
89 13F+1 0.06468 -0.07169 0.03960 0.02972 -0.02122
|
|
90 13F-1 0.10357 -0.07642 -0.11960 -0.00010 0.02485
|
|
91 13F+2 0.03168 -0.02698 0.02280 -0.03647 0.06555
|
|
92 13F-2 -0.17139 0.10082 0.03637 0.01250 0.01923
|
|
93 13F+3 0.00641 -0.01135 -0.07929 -0.01313 0.01024
|
|
94 13F-3 0.13039 0.01900 0.03087 -0.00596 0.05446
|
|
95 14F 0 0.16462 -0.18198 -0.23166 0.30185 0.31729
|
|
96 14F+1 -0.03598 -0.00052 0.06481 -0.28816 -0.09903
|
|
97 14F-1 -0.24130 -0.01294 0.29197 -0.14956 -0.02098
|
|
98 14F+2 -0.07777 0.04336 0.21766 0.02064 0.18735
|
|
99 14F-2 -0.00159 0.26482 0.16309 0.12551 -0.12365
|
|
100 14F+3 0.11656 0.59173 -0.12746 -0.01681 -0.33208
|
|
101 14F-3 -0.19076 -0.11834 0.00985 -0.02311 -0.20149
|
|
102 15G 0 0.05851 -0.08887 -0.06270 0.29789 0.29020
|
|
103 15G+1 0.00084 -0.09819 -0.16196 0.02516 -0.06575
|
|
104 15G-1 0.14457 -0.08293 0.00518 -0.23158 -0.07123
|
|
105 15G+2 0.11129 0.06457 -0.00312 -0.29834 0.35908
|
|
106 15G-2 -0.28801 0.26214 -0.10561 0.07387 0.06534
|
|
107 15G+3 0.03455 0.08798 0.19941 0.10985 -0.16369
|
|
108 15G-3 -0.09864 0.11282 -0.09589 0.06229 0.04936
|
|
109 15G+4 0.18851 0.20395 -0.40300 0.01094 -0.11941
|
|
110 15G-4 0.18646 -0.01385 -0.06160 -0.06848 0.08751
|
|
111 3 H 1S -0.01779 -0.14103 0.10136 0.10628 -0.01885
|
|
112 2S 0.01339 0.03992 -0.30297 -0.98022 0.17858
|
|
113 3S -1.09242 -0.87668 0.22807 -1.77753 0.63530
|
|
114 4S -0.09041 0.13298 -0.06434 -0.13851 0.09806
|
|
115 5PX -0.17288 -0.05950 -0.28314 -0.23710 0.01586
|
|
116 5PY -0.01112 -0.03303 0.00232 -0.09647 0.20003
|
|
117 5PZ -0.07531 -0.37826 0.33034 0.03088 -0.04933
|
|
118 6PX 0.15443 -0.17472 0.44846 0.64375 -0.04350
|
|
119 6PY -0.07175 0.00742 0.06795 0.38522 -0.82245
|
|
120 6PZ 0.40962 0.76391 -0.33660 0.55958 0.01267
|
|
121 7PX 0.03025 -0.29625 -0.01184 0.48543 0.04461
|
|
122 7PY -0.06742 0.06320 -0.01354 0.20223 -0.73465
|
|
123 7PZ 0.54898 0.18858 0.05052 0.53874 -0.05827
|
|
124 8D 0 0.06403 0.04960 0.00520 -0.07080 0.25220
|
|
125 8D+1 -0.14785 -0.28325 0.08205 0.01218 0.13694
|
|
126 8D-1 -0.13415 -0.15328 0.12626 -0.26797 -0.37893
|
|
127 8D+2 -0.01639 -0.11919 -0.10398 -0.12563 -0.13387
|
|
128 8D-2 0.01155 0.02443 -0.15052 0.28921 -0.14887
|
|
129 9D 0 -0.53907 -0.46017 0.09562 -0.03519 -0.45991
|
|
130 9D+1 0.01372 0.40734 -0.24514 -0.39789 -0.08729
|
|
131 9D-1 -0.00356 0.05508 -0.09560 0.02632 0.93490
|
|
132 9D+2 -0.04490 0.09648 0.05688 0.03586 -0.19933
|
|
133 9D-2 0.02859 0.04893 0.02276 -0.37718 0.20111
|
|
134 10F 0 0.31174 0.25983 -0.02926 0.06607 0.26231
|
|
135 10F+1 0.13857 -0.07688 0.17142 0.09657 -0.00134
|
|
136 10F-1 0.29716 0.05720 0.03062 0.00301 -0.32254
|
|
137 10F+2 -0.03630 -0.04681 -0.01930 -0.04113 0.12022
|
|
138 10F-2 0.09491 0.01772 -0.06695 0.17401 -0.07822
|
|
139 10F+3 -0.01089 -0.00777 -0.06116 -0.08546 -0.00819
|
|
140 10F-3 0.07290 0.06582 0.03063 0.03542 -0.04931
|
|
141 4 H 1S -0.08408 0.16746 -0.07574 -0.06109 0.03656
|
|
142 2S 0.20921 -0.57795 -0.29369 -0.41215 -0.27763
|
|
143 3S -0.72731 -1.37355 -1.08869 -0.98714 -0.95567
|
|
144 4S -0.04698 -0.25413 0.10482 0.00690 -0.12729
|
|
145 5PX 0.08046 -0.27967 0.26653 0.12892 -0.00540
|
|
146 5PY -0.06176 0.07514 -0.35696 -0.00004 -0.14982
|
|
147 5PZ 0.16955 -0.07908 0.12992 0.37483 0.12615
|
|
148 6PX -0.37386 -0.06448 -0.62416 -0.50268 -0.11877
|
|
149 6PY -0.17363 0.20596 0.90020 0.04908 0.39412
|
|
150 6PZ -0.25153 -0.01044 -0.10274 -0.70003 -0.25710
|
|
151 7PX -0.45152 -0.76543 -0.15347 -0.12603 -0.20832
|
|
152 7PY -0.23302 0.42624 0.42064 0.02242 0.26821
|
|
153 7PZ -0.18711 -0.23330 0.09674 -0.30058 -0.16470
|
|
154 8D 0 -0.09129 -0.01971 0.12431 -0.14042 0.19328
|
|
155 8D+1 -0.10588 -0.07333 -0.14169 -0.05152 -0.06209
|
|
156 8D-1 0.02267 -0.12019 0.05709 -0.23511 -0.12862
|
|
157 8D+2 0.08389 0.03297 -0.22721 -0.20272 0.00984
|
|
158 8D-2 0.21830 -0.11191 -0.04788 0.26115 -0.06015
|
|
159 9D 0 0.20895 0.01564 0.17501 0.12885 -0.18712
|
|
160 9D+1 -0.19724 -0.07616 0.10589 -0.28531 -0.04329
|
|
161 9D-1 -0.08065 0.26627 -0.00455 0.31801 0.22710
|
|
162 9D+2 -0.58884 -0.23830 0.28912 0.09335 0.09521
|
|
163 9D-2 -0.21750 0.42822 0.58612 -0.23415 0.29877
|
|
164 10F 0 0.13415 0.04240 0.05853 0.10855 -0.08156
|
|
165 10F+1 0.21018 -0.05004 0.15887 0.17395 -0.11933
|
|
166 10F-1 -0.01535 0.16644 -0.09974 0.02642 0.04393
|
|
167 10F+2 -0.21320 0.00031 -0.07874 0.02697 0.07764
|
|
168 10F-2 -0.00535 0.24077 -0.04677 0.18519 0.20691
|
|
169 10F+3 -0.32384 -0.19620 0.17674 0.05987 0.04996
|
|
170 10F-3 0.22673 0.33683 0.13552 -0.14306 0.15986
|
|
171 5 H 1S 0.01779 -0.14103 -0.10136 0.10628 0.01885
|
|
172 2S -0.01339 0.03992 0.30297 -0.98022 -0.17858
|
|
173 3S 1.09242 -0.87668 -0.22807 -1.77753 -0.63530
|
|
174 4S 0.09041 0.13298 0.06434 -0.13851 -0.09806
|
|
175 5PX -0.17288 0.05950 -0.28314 0.23710 0.01586
|
|
176 5PY -0.01112 0.03303 0.00232 0.09647 0.20003
|
|
177 5PZ 0.07531 -0.37826 -0.33034 0.03088 0.04933
|
|
178 6PX 0.15443 0.17472 0.44846 -0.64375 -0.04350
|
|
179 6PY -0.07175 -0.00742 0.06795 -0.38522 -0.82245
|
|
180 6PZ -0.40962 0.76391 0.33660 0.55958 -0.01267
|
|
181 7PX 0.03025 0.29625 -0.01184 -0.48543 0.04461
|
|
182 7PY -0.06742 -0.06320 -0.01354 -0.20223 -0.73465
|
|
183 7PZ -0.54898 0.18858 -0.05052 0.53874 0.05827
|
|
184 8D 0 -0.06403 0.04960 -0.00520 -0.07080 -0.25220
|
|
185 8D+1 -0.14785 0.28325 0.08205 -0.01218 0.13694
|
|
186 8D-1 -0.13415 0.15328 0.12626 0.26797 -0.37893
|
|
187 8D+2 0.01639 -0.11919 0.10398 -0.12563 0.13387
|
|
188 8D-2 -0.01155 0.02443 0.15052 0.28921 0.14887
|
|
189 9D 0 0.53907 -0.46017 -0.09562 -0.03519 0.45991
|
|
190 9D+1 0.01372 -0.40734 -0.24514 0.39789 -0.08729
|
|
191 9D-1 -0.00356 -0.05508 -0.09560 -0.02632 0.93490
|
|
192 9D+2 0.04490 0.09648 -0.05688 0.03586 0.19933
|
|
193 9D-2 -0.02859 0.04893 -0.02276 -0.37718 -0.20111
|
|
194 10F 0 -0.31174 0.25983 0.02926 0.06607 -0.26231
|
|
195 10F+1 0.13857 0.07688 0.17142 -0.09657 -0.00134
|
|
196 10F-1 0.29716 -0.05720 0.03062 -0.00301 -0.32254
|
|
197 10F+2 0.03630 -0.04681 0.01930 -0.04113 -0.12022
|
|
198 10F-2 -0.09491 0.01772 0.06695 0.17401 0.07822
|
|
199 10F+3 -0.01089 0.00777 -0.06116 0.08546 -0.00819
|
|
200 10F-3 0.07290 -0.06582 0.03063 -0.03542 -0.04931
|
|
201 6 H 1S 0.08408 0.16746 0.07574 -0.06109 -0.03656
|
|
202 2S -0.20921 -0.57795 0.29369 -0.41215 0.27763
|
|
203 3S 0.72731 -1.37355 1.08869 -0.98714 0.95567
|
|
204 4S 0.04698 -0.25413 -0.10482 0.00690 0.12729
|
|
205 5PX 0.08046 0.27967 0.26653 -0.12892 -0.00540
|
|
206 5PY -0.06176 -0.07514 -0.35696 0.00004 -0.14982
|
|
207 5PZ -0.16955 -0.07908 -0.12992 0.37483 -0.12615
|
|
208 6PX -0.37386 0.06448 -0.62416 0.50268 -0.11877
|
|
209 6PY -0.17363 -0.20596 0.90020 -0.04908 0.39412
|
|
210 6PZ 0.25153 -0.01044 0.10274 -0.70003 0.25710
|
|
211 7PX -0.45152 0.76543 -0.15347 0.12603 -0.20832
|
|
212 7PY -0.23302 -0.42624 0.42064 -0.02242 0.26821
|
|
213 7PZ 0.18711 -0.23330 -0.09674 -0.30058 0.16470
|
|
214 8D 0 0.09129 -0.01971 -0.12431 -0.14042 -0.19328
|
|
215 8D+1 -0.10588 0.07333 -0.14169 0.05152 -0.06209
|
|
216 8D-1 0.02267 0.12019 0.05709 0.23511 -0.12862
|
|
217 8D+2 -0.08389 0.03297 0.22721 -0.20272 -0.00984
|
|
218 8D-2 -0.21830 -0.11191 0.04788 0.26115 0.06015
|
|
219 9D 0 -0.20895 0.01564 -0.17501 0.12885 0.18712
|
|
220 9D+1 -0.19724 0.07616 0.10589 0.28531 -0.04329
|
|
221 9D-1 -0.08065 -0.26627 -0.00455 -0.31801 0.22710
|
|
222 9D+2 0.58884 -0.23830 -0.28912 0.09335 -0.09521
|
|
223 9D-2 0.21750 0.42822 -0.58612 -0.23415 -0.29877
|
|
224 10F 0 -0.13415 0.04240 -0.05853 0.10855 0.08156
|
|
225 10F+1 0.21018 0.05004 0.15887 -0.17395 -0.11933
|
|
226 10F-1 -0.01535 -0.16644 -0.09974 -0.02642 0.04393
|
|
227 10F+2 0.21320 0.00031 0.07874 0.02697 -0.07764
|
|
228 10F-2 0.00535 0.24077 0.04677 0.18519 -0.20691
|
|
229 10F+3 -0.32384 0.19620 0.17674 -0.05987 0.04996
|
|
230 10F-3 0.22673 -0.33683 0.13552 0.14306 0.15986
|
|
156 157 158 159 160
|
|
V V V V V
|
|
Eigenvalues -- 8.08458 8.11642 8.15928 8.18523 8.26080
|
|
1 1 N 1S 0.00556 0.01785 0.00840 0.00582 0.00940
|
|
2 2S -0.02173 -0.11093 -0.04792 -0.02367 -0.03512
|
|
3 3S -0.34861 -1.47089 -0.49137 -0.64669 -0.38017
|
|
4 4S 1.15564 2.73932 0.62505 2.07196 0.63690
|
|
5 5S 0.47261 1.70540 -1.39992 1.26793 -0.09576
|
|
6 6PX 0.11715 -0.35715 0.03765 -0.17909 -0.11111
|
|
7 6PY -0.01102 -0.04377 0.02174 -0.03343 -0.02662
|
|
8 6PZ 0.23298 0.07638 0.16465 0.35539 0.14113
|
|
9 7PX -0.25473 0.74606 -0.04505 0.19333 0.14808
|
|
10 7PY -0.00397 -0.04213 -0.04993 0.01496 0.01379
|
|
11 7PZ -0.41267 -0.17345 -0.36377 -0.56421 -0.28070
|
|
12 8PX 1.11484 -2.35167 0.98842 -0.70355 0.00406
|
|
13 8PY 0.45283 0.52555 -0.31720 0.15506 -0.24416
|
|
14 8PZ 1.78396 0.44349 1.25571 1.58682 0.18182
|
|
15 9PX 0.23642 -0.26725 0.52832 -0.03437 0.17746
|
|
16 9PY 0.19425 0.09672 0.22610 0.22508 0.11631
|
|
17 9PZ 0.45922 0.01089 0.06029 0.13971 -0.18504
|
|
18 10D 0 0.05519 -0.00763 0.03526 -0.00793 0.00990
|
|
19 10D+1 0.01810 0.02984 -0.00285 -0.02590 -0.01060
|
|
20 10D-1 0.01803 -0.00584 0.01591 -0.01820 0.00783
|
|
21 10D+2 -0.04114 0.03163 -0.01736 0.00714 -0.01456
|
|
22 10D-2 -0.02467 -0.06646 0.00130 -0.02272 -0.05734
|
|
23 11D 0 0.13220 -0.04624 0.19003 0.17420 0.13100
|
|
24 11D+1 -0.09639 -0.00820 0.11530 0.15966 0.28425
|
|
25 11D-1 0.21056 -0.00656 -0.02348 0.12061 -0.17911
|
|
26 11D+2 -0.10570 0.05623 -0.03657 0.28334 0.18674
|
|
27 11D-2 0.03799 -0.21775 0.08642 0.04576 0.07142
|
|
28 12D 0 0.62369 -0.32189 0.39119 0.26342 0.06123
|
|
29 12D+1 0.03760 0.05874 0.03590 -0.02787 0.34493
|
|
30 12D-1 0.37858 0.09019 -0.07354 0.33956 0.13078
|
|
31 12D+2 0.00809 0.27823 -0.39757 0.29957 0.23452
|
|
32 12D-2 0.21553 -0.69079 0.15341 -0.23282 0.12054
|
|
33 13F 0 -0.06078 -0.09631 -0.07487 -0.02769 -0.05006
|
|
34 13F+1 0.05500 -0.06461 0.07327 -0.02342 -0.02038
|
|
35 13F-1 0.01475 0.02586 -0.06905 0.04287 0.04456
|
|
36 13F+2 0.11316 -0.00327 -0.00475 0.02107 -0.02825
|
|
37 13F-2 -0.02420 -0.14244 -0.05533 -0.06841 -0.00789
|
|
38 13F+3 -0.04599 0.06451 0.10031 0.01273 -0.05105
|
|
39 13F-3 0.06110 -0.04744 0.02827 0.04649 -0.08584
|
|
40 14F 0 0.04058 0.41711 0.21213 0.21074 0.24372
|
|
41 14F+1 -0.08168 0.28298 0.14507 0.34297 0.03404
|
|
42 14F-1 0.25169 -0.03309 0.15544 0.11481 0.03822
|
|
43 14F+2 0.09552 -0.24595 -0.00263 -0.04125 0.09520
|
|
44 14F-2 0.16898 0.08654 0.10210 -0.04435 0.04520
|
|
45 14F+3 -0.07394 -0.18489 -0.01074 -0.28231 0.01750
|
|
46 14F-3 -0.05455 0.36965 -0.14765 -0.01557 0.17256
|
|
47 15G 0 0.00082 0.20598 0.14403 0.15529 0.00429
|
|
48 15G+1 0.10471 -0.15594 0.15165 0.20477 -0.19066
|
|
49 15G-1 0.12189 0.07095 -0.01726 0.06433 0.08288
|
|
50 15G+2 0.09237 -0.16253 -0.05609 -0.09661 0.08191
|
|
51 15G-2 0.09032 0.09870 -0.06280 0.08949 0.11369
|
|
52 15G+3 -0.12055 0.02737 -0.14814 0.18485 0.12598
|
|
53 15G-3 0.00949 -0.09159 -0.05716 -0.07931 0.12494
|
|
54 15G+4 0.05960 -0.03477 -0.09306 0.12997 -0.02910
|
|
55 15G-4 -0.01356 -0.09895 0.03925 -0.02264 0.06303
|
|
56 2 N 1S 0.00556 -0.01785 -0.00840 0.00582 0.00940
|
|
57 2S -0.02173 0.11093 0.04792 -0.02367 -0.03512
|
|
58 3S -0.34861 1.47089 0.49137 -0.64669 -0.38017
|
|
59 4S 1.15564 -2.73932 -0.62505 2.07196 0.63690
|
|
60 5S 0.47261 -1.70540 1.39992 1.26793 -0.09576
|
|
61 6PX -0.11715 -0.35715 0.03765 0.17909 0.11111
|
|
62 6PY 0.01102 -0.04377 0.02174 0.03343 0.02662
|
|
63 6PZ 0.23298 -0.07638 -0.16465 0.35539 0.14113
|
|
64 7PX 0.25473 0.74606 -0.04505 -0.19333 -0.14808
|
|
65 7PY 0.00397 -0.04213 -0.04993 -0.01496 -0.01379
|
|
66 7PZ -0.41267 0.17345 0.36377 -0.56421 -0.28070
|
|
67 8PX -1.11484 -2.35167 0.98842 0.70355 -0.00406
|
|
68 8PY -0.45283 0.52555 -0.31720 -0.15506 0.24416
|
|
69 8PZ 1.78396 -0.44349 -1.25571 1.58682 0.18182
|
|
70 9PX -0.23642 -0.26725 0.52832 0.03437 -0.17746
|
|
71 9PY -0.19425 0.09672 0.22610 -0.22508 -0.11631
|
|
72 9PZ 0.45922 -0.01089 -0.06029 0.13971 -0.18504
|
|
73 10D 0 0.05519 0.00763 -0.03526 -0.00793 0.00990
|
|
74 10D+1 -0.01810 0.02984 -0.00285 0.02590 0.01060
|
|
75 10D-1 -0.01803 -0.00584 0.01591 0.01820 -0.00783
|
|
76 10D+2 -0.04114 -0.03163 0.01736 0.00714 -0.01456
|
|
77 10D-2 -0.02467 0.06646 -0.00130 -0.02272 -0.05734
|
|
78 11D 0 0.13220 0.04624 -0.19003 0.17420 0.13100
|
|
79 11D+1 0.09639 -0.00820 0.11530 -0.15966 -0.28425
|
|
80 11D-1 -0.21056 -0.00656 -0.02348 -0.12061 0.17911
|
|
81 11D+2 -0.10570 -0.05623 0.03657 0.28334 0.18674
|
|
82 11D-2 0.03799 0.21775 -0.08642 0.04576 0.07142
|
|
83 12D 0 0.62369 0.32189 -0.39119 0.26342 0.06123
|
|
84 12D+1 -0.03760 0.05874 0.03590 0.02787 -0.34493
|
|
85 12D-1 -0.37858 0.09019 -0.07354 -0.33956 -0.13078
|
|
86 12D+2 0.00809 -0.27823 0.39757 0.29957 0.23452
|
|
87 12D-2 0.21553 0.69079 -0.15341 -0.23282 0.12054
|
|
88 13F 0 -0.06078 0.09631 0.07487 -0.02769 -0.05006
|
|
89 13F+1 -0.05500 -0.06461 0.07327 0.02342 0.02038
|
|
90 13F-1 -0.01475 0.02586 -0.06905 -0.04287 -0.04456
|
|
91 13F+2 0.11316 0.00327 0.00475 0.02107 -0.02825
|
|
92 13F-2 -0.02420 0.14244 0.05533 -0.06841 -0.00789
|
|
93 13F+3 0.04599 0.06451 0.10031 -0.01273 0.05105
|
|
94 13F-3 -0.06110 -0.04744 0.02827 -0.04649 0.08584
|
|
95 14F 0 0.04058 -0.41711 -0.21213 0.21074 0.24372
|
|
96 14F+1 0.08168 0.28298 0.14507 -0.34297 -0.03404
|
|
97 14F-1 -0.25169 -0.03309 0.15544 -0.11481 -0.03822
|
|
98 14F+2 0.09552 0.24595 0.00263 -0.04125 0.09520
|
|
99 14F-2 0.16898 -0.08654 -0.10210 -0.04435 0.04520
|
|
100 14F+3 0.07394 -0.18489 -0.01074 0.28231 -0.01750
|
|
101 14F-3 0.05455 0.36965 -0.14765 0.01557 -0.17256
|
|
102 15G 0 0.00082 -0.20598 -0.14403 0.15529 0.00429
|
|
103 15G+1 -0.10471 -0.15594 0.15165 -0.20477 0.19066
|
|
104 15G-1 -0.12189 0.07095 -0.01726 -0.06433 -0.08288
|
|
105 15G+2 0.09237 0.16253 0.05609 -0.09661 0.08191
|
|
106 15G-2 0.09032 -0.09870 0.06280 0.08949 0.11369
|
|
107 15G+3 0.12055 0.02737 -0.14814 -0.18485 -0.12598
|
|
108 15G-3 -0.00949 -0.09159 -0.05716 0.07931 -0.12494
|
|
109 15G+4 0.05960 0.03477 0.09306 0.12997 -0.02910
|
|
110 15G-4 -0.01356 0.09895 -0.03925 -0.02264 0.06303
|
|
111 3 H 1S 0.29365 -0.03275 0.20760 0.17807 0.08865
|
|
112 2S -1.16654 -0.38391 -0.93889 -1.06607 -0.36811
|
|
113 3S -1.75229 -0.43947 -0.29552 -1.14637 -0.03736
|
|
114 4S -0.23208 0.00051 -0.18524 -0.07432 0.01205
|
|
115 5PX 0.00515 -0.36890 0.07205 -0.28906 0.13339
|
|
116 5PY 0.17117 -0.11103 -0.03518 -0.14915 -0.36527
|
|
117 5PZ 0.17312 -0.01509 0.22750 0.11181 0.17238
|
|
118 6PX 0.08103 0.66104 -0.00694 0.46769 -0.20002
|
|
119 6PY -0.00854 0.25855 0.29965 0.49485 0.56700
|
|
120 6PZ 0.33589 0.19802 0.03883 0.31588 -0.12643
|
|
121 7PX 0.15508 0.14847 -0.03069 0.04287 -0.08200
|
|
122 7PY 0.32289 -0.02514 0.25612 0.18406 -0.12204
|
|
123 7PZ 0.75207 -0.06462 0.23053 0.31102 0.15474
|
|
124 8D 0 0.02761 -0.00770 -0.05931 -0.17842 0.07534
|
|
125 8D+1 -0.16625 0.02319 0.02472 0.07244 -0.26211
|
|
126 8D-1 0.16254 -0.25885 0.01450 -0.02253 0.03795
|
|
127 8D+2 0.42517 -0.12515 -0.23639 -0.02643 0.33867
|
|
128 8D-2 -0.15007 0.17781 -0.24413 -0.45888 0.18767
|
|
129 9D 0 -0.19056 0.19739 0.12035 0.18943 0.05706
|
|
130 9D+1 0.12421 -0.27494 0.05569 -0.10909 0.35015
|
|
131 9D-1 -0.12151 0.19168 -0.14135 -0.17033 -0.22074
|
|
132 9D+2 -0.27973 0.05496 0.34425 0.13465 -0.27310
|
|
133 9D-2 0.02230 -0.24767 0.09629 0.26048 -0.12825
|
|
134 10F 0 0.11436 -0.09381 -0.04107 -0.05824 -0.11154
|
|
135 10F+1 -0.06382 -0.00287 -0.06438 0.05134 -0.28728
|
|
136 10F-1 -0.00039 -0.16814 -0.02909 0.03832 0.18101
|
|
137 10F+2 0.08630 -0.00314 -0.22368 -0.13319 0.11526
|
|
138 10F-2 0.02707 0.07761 -0.02105 -0.11768 0.01054
|
|
139 10F+3 0.00798 -0.05113 -0.01226 0.01548 0.01626
|
|
140 10F-3 0.11530 -0.01404 -0.12928 -0.09320 0.10161
|
|
141 4 H 1S -0.19354 0.39833 -0.12422 0.11934 0.12742
|
|
142 2S 0.58039 -2.00735 0.41483 -0.67039 -0.47923
|
|
143 3S 0.68137 -1.36403 1.48205 -0.84303 0.31584
|
|
144 4S 0.19690 -0.18329 0.21897 -0.12213 -0.07220
|
|
145 5PX 0.23315 -0.29517 0.05115 -0.17127 -0.10010
|
|
146 5PY -0.01538 0.04549 -0.15519 -0.14114 0.07176
|
|
147 5PZ 0.11633 0.06799 0.02660 0.46700 0.05091
|
|
148 6PX -0.04148 -0.46321 0.17579 -0.09908 -0.02914
|
|
149 6PY -0.04628 0.07430 0.09133 0.43385 -0.00092
|
|
150 6PZ -0.13911 -0.29865 0.00029 -0.75340 0.03351
|
|
151 7PX 0.48357 -0.54293 0.51392 -0.29702 0.03686
|
|
152 7PY -0.15160 -0.16659 -0.32431 0.21751 0.15791
|
|
153 7PZ -0.02356 -0.22375 0.15805 -0.09350 0.34043
|
|
154 8D 0 0.08894 -0.11246 -0.37006 0.01509 -0.30502
|
|
155 8D+1 0.02725 0.16058 0.06014 0.01554 -0.05581
|
|
156 8D-1 -0.36863 0.31248 -0.32445 0.20548 0.22862
|
|
157 8D+2 0.03984 -0.16196 -0.16177 -0.04329 -0.19695
|
|
158 8D-2 0.08761 0.14732 0.33128 -0.07907 -0.11059
|
|
159 9D 0 -0.24066 0.07811 0.15679 -0.03920 0.29283
|
|
160 9D+1 -0.11111 -0.20055 -0.01518 -0.23791 0.25254
|
|
161 9D-1 0.28281 -0.19872 0.24339 0.00028 -0.24928
|
|
162 9D+2 -0.04990 0.06687 0.18488 0.12571 0.14926
|
|
163 9D-2 -0.10987 -0.28876 -0.31170 0.33376 0.18037
|
|
164 10F 0 -0.01658 0.04450 0.00541 0.04179 -0.09041
|
|
165 10F+1 -0.17569 0.08945 0.00083 -0.01040 0.16652
|
|
166 10F-1 0.16636 -0.02822 -0.01315 -0.01449 -0.11526
|
|
167 10F+2 -0.00589 -0.02003 0.10075 -0.00086 0.02710
|
|
168 10F-2 0.11947 -0.09155 0.07518 0.01770 -0.14816
|
|
169 10F+3 -0.11037 0.07916 0.02467 0.06380 0.07362
|
|
170 10F-3 -0.01749 -0.20181 -0.13790 0.16281 0.05247
|
|
171 5 H 1S 0.29365 0.03275 -0.20760 0.17807 0.08865
|
|
172 2S -1.16654 0.38391 0.93889 -1.06607 -0.36811
|
|
173 3S -1.75229 0.43947 0.29552 -1.14637 -0.03736
|
|
174 4S -0.23208 -0.00051 0.18524 -0.07432 0.01205
|
|
175 5PX -0.00515 -0.36890 0.07205 0.28906 -0.13339
|
|
176 5PY -0.17117 -0.11103 -0.03518 0.14915 0.36527
|
|
177 5PZ 0.17312 0.01509 -0.22750 0.11181 0.17238
|
|
178 6PX -0.08103 0.66104 -0.00694 -0.46769 0.20002
|
|
179 6PY 0.00854 0.25855 0.29965 -0.49485 -0.56700
|
|
180 6PZ 0.33589 -0.19802 -0.03883 0.31588 -0.12643
|
|
181 7PX -0.15508 0.14847 -0.03069 -0.04287 0.08200
|
|
182 7PY -0.32289 -0.02514 0.25612 -0.18406 0.12204
|
|
183 7PZ 0.75207 0.06462 -0.23053 0.31102 0.15474
|
|
184 8D 0 0.02761 0.00770 0.05931 -0.17842 0.07534
|
|
185 8D+1 0.16625 0.02319 0.02472 -0.07244 0.26211
|
|
186 8D-1 -0.16254 -0.25885 0.01450 0.02253 -0.03795
|
|
187 8D+2 0.42517 0.12515 0.23639 -0.02643 0.33867
|
|
188 8D-2 -0.15007 -0.17781 0.24413 -0.45888 0.18767
|
|
189 9D 0 -0.19056 -0.19739 -0.12035 0.18943 0.05706
|
|
190 9D+1 -0.12421 -0.27494 0.05569 0.10909 -0.35015
|
|
191 9D-1 0.12151 0.19168 -0.14135 0.17033 0.22074
|
|
192 9D+2 -0.27973 -0.05496 -0.34425 0.13465 -0.27310
|
|
193 9D-2 0.02230 0.24767 -0.09629 0.26048 -0.12825
|
|
194 10F 0 0.11436 0.09381 0.04107 -0.05824 -0.11154
|
|
195 10F+1 0.06382 -0.00287 -0.06438 -0.05134 0.28728
|
|
196 10F-1 0.00039 -0.16814 -0.02909 -0.03832 -0.18101
|
|
197 10F+2 0.08630 0.00314 0.22368 -0.13319 0.11526
|
|
198 10F-2 0.02707 -0.07761 0.02105 -0.11768 0.01054
|
|
199 10F+3 -0.00798 -0.05113 -0.01226 -0.01548 -0.01626
|
|
200 10F-3 -0.11530 -0.01404 -0.12928 0.09320 -0.10161
|
|
201 6 H 1S -0.19354 -0.39833 0.12422 0.11934 0.12742
|
|
202 2S 0.58039 2.00735 -0.41483 -0.67039 -0.47923
|
|
203 3S 0.68137 1.36403 -1.48205 -0.84303 0.31584
|
|
204 4S 0.19690 0.18329 -0.21897 -0.12213 -0.07220
|
|
205 5PX -0.23315 -0.29517 0.05115 0.17127 0.10010
|
|
206 5PY 0.01538 0.04549 -0.15519 0.14114 -0.07176
|
|
207 5PZ 0.11633 -0.06799 -0.02660 0.46700 0.05091
|
|
208 6PX 0.04148 -0.46321 0.17579 0.09908 0.02914
|
|
209 6PY 0.04628 0.07430 0.09133 -0.43385 0.00092
|
|
210 6PZ -0.13911 0.29865 -0.00029 -0.75340 0.03351
|
|
211 7PX -0.48357 -0.54293 0.51392 0.29702 -0.03686
|
|
212 7PY 0.15160 -0.16659 -0.32431 -0.21751 -0.15791
|
|
213 7PZ -0.02356 0.22375 -0.15805 -0.09350 0.34043
|
|
214 8D 0 0.08894 0.11246 0.37006 0.01509 -0.30502
|
|
215 8D+1 -0.02725 0.16058 0.06014 -0.01554 0.05581
|
|
216 8D-1 0.36863 0.31248 -0.32445 -0.20548 -0.22862
|
|
217 8D+2 0.03984 0.16196 0.16177 -0.04329 -0.19695
|
|
218 8D-2 0.08761 -0.14732 -0.33128 -0.07907 -0.11059
|
|
219 9D 0 -0.24066 -0.07811 -0.15679 -0.03920 0.29283
|
|
220 9D+1 0.11111 -0.20055 -0.01518 0.23791 -0.25254
|
|
221 9D-1 -0.28281 -0.19872 0.24339 -0.00028 0.24928
|
|
222 9D+2 -0.04990 -0.06687 -0.18488 0.12571 0.14926
|
|
223 9D-2 -0.10987 0.28876 0.31170 0.33376 0.18037
|
|
224 10F 0 -0.01658 -0.04450 -0.00541 0.04179 -0.09041
|
|
225 10F+1 0.17569 0.08945 0.00083 0.01040 -0.16652
|
|
226 10F-1 -0.16636 -0.02822 -0.01315 0.01449 0.11526
|
|
227 10F+2 -0.00589 0.02003 -0.10075 -0.00086 0.02710
|
|
228 10F-2 0.11947 0.09155 -0.07518 0.01770 -0.14816
|
|
229 10F+3 0.11037 0.07916 0.02467 -0.06380 -0.07362
|
|
230 10F-3 0.01749 -0.20181 -0.13790 -0.16281 -0.05247
|
|
161 162 163 164 165
|
|
V V V V V
|
|
Eigenvalues -- 8.26474 8.29761 8.32271 8.33890 8.35573
|
|
1 1 N 1S 0.00225 -0.00412 -0.00927 -0.00168 0.02231
|
|
2 2S -0.04453 -0.01687 0.01211 0.00345 -0.06860
|
|
3 3S -0.98469 -0.55664 0.36125 -0.24927 -0.79536
|
|
4 4S 2.64288 1.70649 -2.14532 1.11329 1.83045
|
|
5 5S 2.08273 1.67907 -1.23156 0.96310 -0.07589
|
|
6 6PX -0.01005 -0.25182 -0.06546 -0.17483 0.03387
|
|
7 6PY -0.05001 -0.04277 -0.08824 0.15709 -0.10928
|
|
8 6PZ 0.21083 -0.10098 0.00352 -0.15607 0.06487
|
|
9 7PX 0.05831 0.54728 0.07626 0.35816 0.02763
|
|
10 7PY 0.18853 0.15279 0.07426 -0.18311 0.15828
|
|
11 7PZ -0.34537 0.29603 -0.07663 0.34395 -0.15048
|
|
12 8PX -0.45129 -1.48998 -0.82177 -0.33447 0.11569
|
|
13 8PY -1.20461 -0.98172 -0.48159 0.60862 -0.54949
|
|
14 8PZ 1.38407 -0.17209 -1.31631 -0.04955 0.39892
|
|
15 9PX -0.05262 -0.19535 -0.17867 0.13748 0.36528
|
|
16 9PY -0.47245 -0.35977 -0.14386 -0.07142 0.09890
|
|
17 9PZ 0.21774 0.20735 -0.39211 0.28594 -0.19076
|
|
18 10D 0 -0.06649 0.03969 -0.04282 0.10760 0.02492
|
|
19 10D+1 0.00468 -0.02252 -0.01050 -0.03570 0.09840
|
|
20 10D-1 -0.02647 0.01267 -0.07847 0.03925 0.05203
|
|
21 10D+2 0.00639 -0.05104 -0.04662 -0.04077 0.05638
|
|
22 10D-2 -0.06990 -0.01592 0.04323 0.03555 -0.06893
|
|
23 11D 0 0.30317 -0.11442 -0.41755 -0.00655 -0.11727
|
|
24 11D+1 0.19023 0.14813 -0.31062 0.30376 0.14708
|
|
25 11D-1 0.02296 -0.09176 -0.03376 -0.05745 0.02674
|
|
26 11D+2 -0.07909 0.15538 0.03025 0.16139 -0.01588
|
|
27 11D-2 -0.03640 -0.00553 -0.14591 -0.11152 0.20277
|
|
28 12D 0 0.20518 -0.43965 -0.60673 -0.09874 -0.16969
|
|
29 12D+1 0.12151 -0.02608 -0.48376 0.36548 0.44579
|
|
30 12D-1 -0.41326 -0.61239 -0.09870 -0.01040 0.14389
|
|
31 12D+2 -0.22340 0.32680 0.02245 0.08596 -0.04172
|
|
32 12D-2 -0.40185 -0.25945 0.11564 -0.35318 -0.17487
|
|
33 13F 0 -0.00129 0.01557 0.03136 -0.10700 -0.01587
|
|
34 13F+1 -0.09343 0.08037 -0.02145 0.05638 0.02824
|
|
35 13F-1 -0.03186 -0.00183 0.05346 -0.03405 -0.00455
|
|
36 13F+2 -0.00242 0.09387 0.15575 -0.00177 0.04779
|
|
37 13F-2 -0.00651 -0.01501 -0.00670 0.02696 -0.02260
|
|
38 13F+3 -0.02910 0.04925 0.02382 0.02355 0.11127
|
|
39 13F-3 -0.08203 -0.09053 0.01649 0.00713 -0.06521
|
|
40 14F 0 0.34725 0.07755 -0.27556 0.18750 -0.14314
|
|
41 14F+1 0.29661 -0.11614 -0.09979 -0.04068 0.16565
|
|
42 14F-1 0.21728 -0.02258 -0.37393 -0.03804 0.11007
|
|
43 14F+2 0.13363 -0.20222 -0.27668 -0.13383 -0.17421
|
|
44 14F-2 -0.00499 0.10901 -0.21691 0.07469 -0.04775
|
|
45 14F+3 -0.00528 -0.42003 -0.16145 -0.09592 -0.25089
|
|
46 14F-3 0.33349 0.42302 -0.02635 0.19168 0.25415
|
|
47 15G 0 0.21592 0.18148 0.11999 0.03505 -0.10779
|
|
48 15G+1 0.19879 -0.00475 -0.11367 0.02961 0.22882
|
|
49 15G-1 0.17697 -0.08640 -0.43023 0.01759 -0.04169
|
|
50 15G+2 0.09583 0.06630 -0.01685 0.04855 0.14961
|
|
51 15G-2 -0.00807 -0.02194 0.13404 0.22071 0.10080
|
|
52 15G+3 0.06367 -0.09908 0.00089 0.05414 0.15920
|
|
53 15G-3 -0.25243 0.05659 -0.00732 0.02274 -0.00606
|
|
54 15G+4 0.09023 0.09196 0.00055 -0.02927 -0.04078
|
|
55 15G-4 -0.05616 -0.30910 -0.09991 -0.15040 -0.23809
|
|
56 2 N 1S -0.00225 0.00412 -0.00927 -0.00168 -0.02231
|
|
57 2S 0.04453 0.01687 0.01211 0.00345 0.06860
|
|
58 3S 0.98469 0.55664 0.36125 -0.24927 0.79536
|
|
59 4S -2.64288 -1.70649 -2.14532 1.11329 -1.83045
|
|
60 5S -2.08273 -1.67907 -1.23156 0.96310 0.07589
|
|
61 6PX -0.01005 -0.25182 0.06546 0.17483 0.03387
|
|
62 6PY -0.05001 -0.04277 0.08824 -0.15709 -0.10928
|
|
63 6PZ -0.21083 0.10098 0.00352 -0.15607 -0.06487
|
|
64 7PX 0.05831 0.54728 -0.07626 -0.35816 0.02763
|
|
65 7PY 0.18853 0.15279 -0.07426 0.18311 0.15828
|
|
66 7PZ 0.34537 -0.29603 -0.07663 0.34395 0.15048
|
|
67 8PX -0.45129 -1.48998 0.82177 0.33447 0.11569
|
|
68 8PY -1.20461 -0.98172 0.48159 -0.60862 -0.54949
|
|
69 8PZ -1.38407 0.17209 -1.31631 -0.04955 -0.39892
|
|
70 9PX -0.05262 -0.19535 0.17867 -0.13748 0.36528
|
|
71 9PY -0.47245 -0.35977 0.14386 0.07142 0.09890
|
|
72 9PZ -0.21774 -0.20735 -0.39211 0.28594 0.19076
|
|
73 10D 0 0.06649 -0.03969 -0.04282 0.10760 -0.02492
|
|
74 10D+1 0.00468 -0.02252 0.01050 0.03570 0.09840
|
|
75 10D-1 -0.02647 0.01267 0.07847 -0.03925 0.05203
|
|
76 10D+2 -0.00639 0.05104 -0.04662 -0.04077 -0.05638
|
|
77 10D-2 0.06990 0.01592 0.04323 0.03555 0.06893
|
|
78 11D 0 -0.30317 0.11442 -0.41755 -0.00655 0.11727
|
|
79 11D+1 0.19023 0.14813 0.31062 -0.30376 0.14708
|
|
80 11D-1 0.02296 -0.09176 0.03376 0.05745 0.02674
|
|
81 11D+2 0.07909 -0.15538 0.03025 0.16139 0.01588
|
|
82 11D-2 0.03640 0.00553 -0.14591 -0.11152 -0.20277
|
|
83 12D 0 -0.20518 0.43965 -0.60673 -0.09874 0.16969
|
|
84 12D+1 0.12151 -0.02608 0.48376 -0.36548 0.44579
|
|
85 12D-1 -0.41326 -0.61239 0.09870 0.01040 0.14389
|
|
86 12D+2 0.22340 -0.32680 0.02245 0.08596 0.04172
|
|
87 12D-2 0.40185 0.25945 0.11564 -0.35318 0.17487
|
|
88 13F 0 0.00129 -0.01557 0.03136 -0.10700 0.01587
|
|
89 13F+1 -0.09343 0.08037 0.02145 -0.05638 0.02824
|
|
90 13F-1 -0.03186 -0.00183 -0.05346 0.03405 -0.00455
|
|
91 13F+2 0.00242 -0.09387 0.15575 -0.00177 -0.04779
|
|
92 13F-2 0.00651 0.01501 -0.00670 0.02696 0.02260
|
|
93 13F+3 -0.02910 0.04925 -0.02382 -0.02355 0.11127
|
|
94 13F-3 -0.08203 -0.09053 -0.01649 -0.00713 -0.06521
|
|
95 14F 0 -0.34725 -0.07755 -0.27556 0.18750 0.14314
|
|
96 14F+1 0.29661 -0.11614 0.09979 0.04068 0.16565
|
|
97 14F-1 0.21728 -0.02258 0.37393 0.03804 0.11007
|
|
98 14F+2 -0.13363 0.20222 -0.27668 -0.13383 0.17421
|
|
99 14F-2 0.00499 -0.10901 -0.21691 0.07469 0.04775
|
|
100 14F+3 -0.00528 -0.42003 0.16145 0.09592 -0.25089
|
|
101 14F-3 0.33349 0.42302 0.02635 -0.19168 0.25415
|
|
102 15G 0 -0.21592 -0.18148 0.11999 0.03505 0.10779
|
|
103 15G+1 0.19879 -0.00475 0.11367 -0.02961 0.22882
|
|
104 15G-1 0.17697 -0.08640 0.43023 -0.01759 -0.04169
|
|
105 15G+2 -0.09583 -0.06630 -0.01685 0.04855 -0.14961
|
|
106 15G-2 0.00807 0.02194 0.13404 0.22071 -0.10080
|
|
107 15G+3 0.06367 -0.09908 -0.00089 -0.05414 0.15920
|
|
108 15G-3 -0.25243 0.05659 0.00732 -0.02274 -0.00606
|
|
109 15G+4 -0.09023 -0.09196 0.00055 -0.02927 0.04078
|
|
110 15G-4 0.05616 0.30910 -0.09991 -0.15040 0.23809
|
|
111 3 H 1S 0.01047 -0.11331 -0.27094 0.04213 0.21060
|
|
112 2S -0.72400 0.47191 1.25528 -0.16948 -0.56076
|
|
113 3S -1.05061 -0.18556 2.25210 -0.88607 -0.17471
|
|
114 4S 0.00024 -0.08416 0.21872 -0.20682 -0.13401
|
|
115 5PX 0.05833 -0.14879 -0.22338 -0.12765 0.05937
|
|
116 5PY -0.28154 0.08038 0.20123 0.17146 0.09055
|
|
117 5PZ -0.08569 -0.01453 -0.17157 0.14604 0.12281
|
|
118 6PX 0.10014 0.19319 0.12419 0.13939 -0.20047
|
|
119 6PY 0.85506 0.01399 -0.65148 -0.07829 -0.05331
|
|
120 6PZ 0.45425 -0.01963 -0.53452 0.06892 0.10758
|
|
121 7PX 0.26408 -0.05128 -0.24644 -0.24879 -0.40578
|
|
122 7PY 0.50296 0.42199 -0.49883 0.37149 0.15894
|
|
123 7PZ -0.01681 0.00866 -0.99939 0.49011 0.34482
|
|
124 8D 0 -0.28485 0.07886 -0.08140 0.21132 0.15031
|
|
125 8D+1 0.04725 -0.25778 -0.18062 -0.11403 0.02809
|
|
126 8D-1 -0.22277 0.17020 -0.06229 0.11624 0.15876
|
|
127 8D+2 -0.28416 -0.12510 0.21672 -0.24276 -0.06535
|
|
128 8D-2 0.04876 0.29323 0.16019 -0.18631 -0.27144
|
|
129 9D 0 0.44301 -0.09395 0.28297 -0.35874 -0.25804
|
|
130 9D+1 -0.16558 0.18330 0.18619 0.19569 0.25586
|
|
131 9D-1 -0.32931 -0.32416 0.54647 -0.28509 -0.14930
|
|
132 9D+2 0.33688 0.21502 -0.04323 0.26006 0.18112
|
|
133 9D-2 -0.08039 -0.41378 -0.13276 0.08456 0.40707
|
|
134 10F 0 -0.18815 0.12661 0.05298 0.13663 0.08363
|
|
135 10F+1 0.09734 -0.14613 -0.04168 -0.09371 -0.04261
|
|
136 10F-1 0.09069 0.03078 -0.38360 0.16387 0.00216
|
|
137 10F+2 -0.11595 -0.15900 -0.11216 -0.17480 -0.12258
|
|
138 10F-2 -0.07197 0.20741 0.07201 0.04744 -0.21567
|
|
139 10F+3 0.03299 -0.12995 -0.16097 -0.07630 0.14753
|
|
140 10F-3 -0.05796 -0.00669 -0.03070 0.01269 -0.10615
|
|
141 4 H 1S 0.08770 0.10196 0.01031 -0.00407 0.19792
|
|
142 2S -0.56818 -1.12342 -0.24746 -0.52746 -0.73661
|
|
143 3S -0.40865 -1.09286 0.08736 -0.76260 0.40006
|
|
144 4S -0.02971 0.01645 0.01173 0.12310 0.02447
|
|
145 5PX -0.13161 0.01398 -0.02480 0.31663 -0.36318
|
|
146 5PY 0.09344 -0.24133 -0.17906 0.09719 -0.33086
|
|
147 5PZ 0.14264 -0.28634 0.24284 -0.33816 0.02277
|
|
148 6PX -0.14514 -0.48239 -0.02143 -0.68818 0.22436
|
|
149 6PY -0.07900 0.50371 0.31333 -0.12402 0.47265
|
|
150 6PZ -0.25145 0.20082 -0.44714 0.41203 -0.10292
|
|
151 7PX -0.21413 -0.15679 0.14457 -0.02785 -0.15137
|
|
152 7PY -0.05848 0.02014 -0.10622 -0.00715 -0.28659
|
|
153 7PZ 0.08677 -0.34190 -0.19737 -0.16324 0.10700
|
|
154 8D 0 0.19837 0.31249 0.11697 -0.02837 0.02438
|
|
155 8D+1 -0.26942 -0.05003 0.15978 0.09982 0.14462
|
|
156 8D-1 -0.22023 -0.20510 0.12955 0.17115 0.19550
|
|
157 8D+2 0.22875 -0.15632 -0.09847 -0.33923 0.20853
|
|
158 8D-2 -0.13137 0.12491 0.12299 0.28937 -0.10706
|
|
159 9D 0 -0.10360 -0.38965 -0.18477 -0.02322 -0.18399
|
|
160 9D+1 0.18678 0.02323 -0.43129 0.00389 -0.12663
|
|
161 9D-1 0.20543 0.17589 -0.15607 -0.26974 -0.26401
|
|
162 9D+2 -0.24448 0.08850 0.16639 0.10318 -0.15587
|
|
163 9D-2 0.05262 0.06811 -0.04896 -0.27053 0.19537
|
|
164 10F 0 -0.05295 -0.11703 0.14835 -0.10524 -0.10798
|
|
165 10F+1 0.02609 -0.24143 -0.12366 -0.09702 -0.23102
|
|
166 10F-1 0.05281 0.04678 -0.01045 -0.02557 -0.03672
|
|
167 10F+2 0.15283 0.04812 -0.24888 -0.07750 -0.08165
|
|
168 10F-2 0.06778 0.01445 -0.15217 -0.19638 -0.19080
|
|
169 10F+3 -0.07688 -0.04520 0.02313 -0.02071 0.00143
|
|
170 10F-3 0.05827 0.13593 0.00355 0.01190 0.23164
|
|
171 5 H 1S -0.01047 0.11331 -0.27094 0.04213 -0.21060
|
|
172 2S 0.72400 -0.47191 1.25528 -0.16948 0.56076
|
|
173 3S 1.05061 0.18556 2.25210 -0.88607 0.17471
|
|
174 4S -0.00024 0.08416 0.21872 -0.20682 0.13401
|
|
175 5PX 0.05833 -0.14879 0.22338 0.12765 0.05937
|
|
176 5PY -0.28154 0.08038 -0.20123 -0.17146 0.09055
|
|
177 5PZ 0.08569 0.01453 -0.17157 0.14604 -0.12281
|
|
178 6PX 0.10014 0.19319 -0.12419 -0.13939 -0.20047
|
|
179 6PY 0.85506 0.01399 0.65148 0.07829 -0.05331
|
|
180 6PZ -0.45425 0.01963 -0.53452 0.06892 -0.10758
|
|
181 7PX 0.26408 -0.05128 0.24644 0.24879 -0.40578
|
|
182 7PY 0.50296 0.42199 0.49883 -0.37149 0.15894
|
|
183 7PZ 0.01681 -0.00866 -0.99939 0.49011 -0.34482
|
|
184 8D 0 0.28485 -0.07886 -0.08140 0.21132 -0.15031
|
|
185 8D+1 0.04725 -0.25778 0.18062 0.11403 0.02809
|
|
186 8D-1 -0.22277 0.17020 0.06229 -0.11624 0.15876
|
|
187 8D+2 0.28416 0.12510 0.21672 -0.24276 0.06535
|
|
188 8D-2 -0.04876 -0.29323 0.16019 -0.18631 0.27144
|
|
189 9D 0 -0.44301 0.09395 0.28297 -0.35874 0.25804
|
|
190 9D+1 -0.16558 0.18330 -0.18619 -0.19569 0.25586
|
|
191 9D-1 -0.32931 -0.32416 -0.54647 0.28509 -0.14930
|
|
192 9D+2 -0.33688 -0.21502 -0.04323 0.26006 -0.18112
|
|
193 9D-2 0.08039 0.41378 -0.13276 0.08456 -0.40707
|
|
194 10F 0 0.18815 -0.12661 0.05298 0.13663 -0.08363
|
|
195 10F+1 0.09734 -0.14613 0.04168 0.09371 -0.04261
|
|
196 10F-1 0.09069 0.03078 0.38360 -0.16387 0.00216
|
|
197 10F+2 0.11595 0.15900 -0.11216 -0.17480 0.12258
|
|
198 10F-2 0.07197 -0.20741 0.07201 0.04744 0.21567
|
|
199 10F+3 0.03299 -0.12995 0.16097 0.07630 0.14753
|
|
200 10F-3 -0.05796 -0.00669 0.03070 -0.01269 -0.10615
|
|
201 6 H 1S -0.08770 -0.10196 0.01031 -0.00407 -0.19792
|
|
202 2S 0.56818 1.12342 -0.24746 -0.52746 0.73661
|
|
203 3S 0.40865 1.09286 0.08736 -0.76260 -0.40006
|
|
204 4S 0.02971 -0.01645 0.01173 0.12310 -0.02447
|
|
205 5PX -0.13161 0.01398 0.02480 -0.31663 -0.36318
|
|
206 5PY 0.09344 -0.24133 0.17906 -0.09719 -0.33086
|
|
207 5PZ -0.14264 0.28634 0.24284 -0.33816 -0.02277
|
|
208 6PX -0.14514 -0.48239 0.02143 0.68818 0.22436
|
|
209 6PY -0.07900 0.50371 -0.31333 0.12402 0.47265
|
|
210 6PZ 0.25145 -0.20082 -0.44714 0.41203 0.10292
|
|
211 7PX -0.21413 -0.15679 -0.14457 0.02785 -0.15137
|
|
212 7PY -0.05848 0.02014 0.10622 0.00715 -0.28659
|
|
213 7PZ -0.08677 0.34190 -0.19737 -0.16324 -0.10700
|
|
214 8D 0 -0.19837 -0.31249 0.11697 -0.02837 -0.02438
|
|
215 8D+1 -0.26942 -0.05003 -0.15978 -0.09982 0.14462
|
|
216 8D-1 -0.22023 -0.20510 -0.12955 -0.17115 0.19550
|
|
217 8D+2 -0.22875 0.15632 -0.09847 -0.33923 -0.20853
|
|
218 8D-2 0.13137 -0.12491 0.12299 0.28937 0.10706
|
|
219 9D 0 0.10360 0.38965 -0.18477 -0.02322 0.18399
|
|
220 9D+1 0.18678 0.02323 0.43129 -0.00389 -0.12663
|
|
221 9D-1 0.20543 0.17589 0.15607 0.26974 -0.26401
|
|
222 9D+2 0.24448 -0.08850 0.16639 0.10318 0.15587
|
|
223 9D-2 -0.05262 -0.06811 -0.04896 -0.27053 -0.19537
|
|
224 10F 0 0.05295 0.11703 0.14835 -0.10524 0.10798
|
|
225 10F+1 0.02609 -0.24143 0.12366 0.09702 -0.23102
|
|
226 10F-1 0.05281 0.04678 0.01045 0.02557 -0.03672
|
|
227 10F+2 -0.15283 -0.04812 -0.24888 -0.07750 0.08165
|
|
228 10F-2 -0.06778 -0.01445 -0.15217 -0.19638 0.19080
|
|
229 10F+3 -0.07688 -0.04520 -0.02313 0.02071 0.00143
|
|
230 10F-3 0.05827 0.13593 -0.00355 -0.01190 0.23164
|
|
166 167 168 169 170
|
|
V V V V V
|
|
Eigenvalues -- 8.41159 8.43366 8.47598 8.54294 8.54781
|
|
1 1 N 1S -0.00253 -0.00430 0.00090 -0.00604 0.01899
|
|
2 2S -0.08688 0.03929 0.00703 0.00302 0.02564
|
|
3 3S -0.74514 -0.01239 0.31819 0.16124 0.14514
|
|
4 4S -1.38364 2.55544 -1.30299 -1.19344 2.45433
|
|
5 5S -1.10560 1.52193 -1.02513 -0.42365 2.01022
|
|
6 6PX -0.06259 0.14161 -0.08236 -0.03378 -0.02814
|
|
7 6PY 0.19159 0.15377 0.09770 -0.04427 -0.26517
|
|
8 6PZ 0.05001 -0.22406 -0.12111 0.02134 -0.07862
|
|
9 7PX 0.27892 -0.38516 0.37079 0.24241 -0.05677
|
|
10 7PY -0.44791 -0.16196 -0.33411 0.07051 0.73367
|
|
11 7PZ -0.27616 0.32268 0.32012 0.12042 0.38162
|
|
12 8PX 0.28243 -1.31656 0.93074 1.34310 -0.61222
|
|
13 8PY 0.49971 1.07675 2.34697 -0.75565 -1.79502
|
|
14 8PZ -0.46071 0.23201 1.36074 1.12495 -0.14788
|
|
15 9PX 0.22938 -0.60635 0.59988 0.36724 -0.10451
|
|
16 9PY -0.17542 0.29436 0.72098 -0.14675 -0.26447
|
|
17 9PZ -0.17132 0.17644 0.76313 0.29257 0.32331
|
|
18 10D 0 -0.06602 0.01044 0.10296 0.03709 -0.02082
|
|
19 10D+1 -0.03051 0.13014 0.05352 -0.03251 -0.01680
|
|
20 10D-1 -0.04550 0.02224 0.01633 0.02072 -0.00258
|
|
21 10D+2 -0.06460 -0.03640 -0.03120 -0.13540 0.02464
|
|
22 10D-2 -0.00685 -0.09454 0.03007 -0.05841 -0.02509
|
|
23 11D 0 0.02077 -0.08805 0.29257 0.19393 0.11394
|
|
24 11D+1 0.12785 0.10050 -0.23595 -0.01343 -0.18881
|
|
25 11D-1 0.04107 0.06459 0.02014 0.04774 -0.14995
|
|
26 11D+2 -0.10688 0.32758 -0.19820 0.04748 -0.14790
|
|
27 11D-2 -0.05135 -0.07689 -0.25198 0.20593 -0.05182
|
|
28 12D 0 0.02395 -0.00972 0.65777 0.31598 -0.24264
|
|
29 12D+1 0.20278 0.06870 -0.24333 0.02099 -0.25794
|
|
30 12D-1 0.09326 0.32129 0.24503 0.03059 -0.42235
|
|
31 12D+2 -0.04830 0.36362 0.05631 -0.12262 -0.55357
|
|
32 12D-2 -0.25895 0.00959 -0.57489 0.53889 -0.06690
|
|
33 13F 0 -0.11953 -0.05277 -0.07510 0.04027 0.15352
|
|
34 13F+1 -0.12007 0.00308 -0.09335 0.00258 0.24048
|
|
35 13F-1 -0.19346 0.02125 0.11239 0.04902 0.10109
|
|
36 13F+2 0.05851 0.02061 0.03721 0.03156 -0.13141
|
|
37 13F-2 -0.15939 0.02611 -0.01967 0.07023 0.13098
|
|
38 13F+3 0.04490 -0.05853 -0.08221 -0.03379 -0.14530
|
|
39 13F-3 -0.22160 0.03284 0.02468 -0.26718 0.09060
|
|
40 14F 0 0.11644 0.13236 0.14224 -0.01818 0.03126
|
|
41 14F+1 0.08546 0.26187 0.13674 0.19920 -0.47902
|
|
42 14F-1 0.29305 -0.10181 -0.20147 -0.03346 -0.15859
|
|
43 14F+2 -0.11371 -0.37357 0.12210 0.11623 0.28951
|
|
44 14F-2 0.40574 -0.13875 -0.00568 -0.19572 -0.21921
|
|
45 14F+3 0.04847 -0.08392 0.42086 0.09346 0.18655
|
|
46 14F-3 0.31516 -0.10120 -0.04294 0.04584 -0.05412
|
|
47 15G 0 -0.13461 0.06583 -0.00737 0.02977 0.07944
|
|
48 15G+1 -0.08553 0.02403 0.26377 0.25660 -0.10573
|
|
49 15G-1 0.15783 0.01330 0.08630 -0.00341 -0.04712
|
|
50 15G+2 -0.00060 -0.25085 -0.06491 -0.00718 0.05826
|
|
51 15G-2 -0.05178 0.17331 0.05411 0.01844 -0.21615
|
|
52 15G+3 -0.05683 0.28097 -0.06279 0.04493 -0.09338
|
|
53 15G-3 -0.07120 -0.08786 -0.11369 -0.01963 -0.00147
|
|
54 15G+4 -0.08545 0.06322 -0.23156 -0.08276 0.02556
|
|
55 15G-4 -0.02843 -0.05779 0.09515 0.16604 0.10393
|
|
56 2 N 1S -0.00253 0.00430 -0.00090 -0.00604 -0.01899
|
|
57 2S -0.08688 -0.03929 -0.00703 0.00302 -0.02564
|
|
58 3S -0.74514 0.01239 -0.31819 0.16124 -0.14514
|
|
59 4S -1.38364 -2.55544 1.30299 -1.19344 -2.45433
|
|
60 5S -1.10560 -1.52193 1.02513 -0.42365 -2.01022
|
|
61 6PX 0.06259 0.14161 -0.08236 0.03378 -0.02814
|
|
62 6PY -0.19159 0.15377 0.09770 0.04427 -0.26517
|
|
63 6PZ 0.05001 0.22406 0.12111 0.02134 0.07862
|
|
64 7PX -0.27892 -0.38516 0.37079 -0.24241 -0.05677
|
|
65 7PY 0.44791 -0.16196 -0.33411 -0.07051 0.73367
|
|
66 7PZ -0.27616 -0.32268 -0.32012 0.12042 -0.38162
|
|
67 8PX -0.28243 -1.31656 0.93074 -1.34310 -0.61222
|
|
68 8PY -0.49971 1.07675 2.34697 0.75565 -1.79502
|
|
69 8PZ -0.46071 -0.23201 -1.36074 1.12495 0.14788
|
|
70 9PX -0.22938 -0.60635 0.59988 -0.36724 -0.10451
|
|
71 9PY 0.17542 0.29436 0.72098 0.14675 -0.26447
|
|
72 9PZ -0.17132 -0.17644 -0.76313 0.29257 -0.32331
|
|
73 10D 0 -0.06602 -0.01044 -0.10296 0.03709 0.02082
|
|
74 10D+1 0.03051 0.13014 0.05352 0.03251 -0.01680
|
|
75 10D-1 0.04550 0.02224 0.01633 -0.02072 -0.00258
|
|
76 10D+2 -0.06460 0.03640 0.03120 -0.13540 -0.02464
|
|
77 10D-2 -0.00685 0.09454 -0.03007 -0.05841 0.02509
|
|
78 11D 0 0.02077 0.08805 -0.29257 0.19393 -0.11394
|
|
79 11D+1 -0.12785 0.10050 -0.23595 0.01343 -0.18881
|
|
80 11D-1 -0.04107 0.06459 0.02014 -0.04774 -0.14995
|
|
81 11D+2 -0.10688 -0.32758 0.19820 0.04748 0.14790
|
|
82 11D-2 -0.05135 0.07689 0.25198 0.20593 0.05182
|
|
83 12D 0 0.02395 0.00972 -0.65777 0.31598 0.24264
|
|
84 12D+1 -0.20278 0.06870 -0.24333 -0.02099 -0.25794
|
|
85 12D-1 -0.09326 0.32129 0.24503 -0.03059 -0.42235
|
|
86 12D+2 -0.04830 -0.36362 -0.05631 -0.12262 0.55357
|
|
87 12D-2 -0.25895 -0.00959 0.57489 0.53889 0.06690
|
|
88 13F 0 -0.11953 0.05277 0.07510 0.04027 -0.15352
|
|
89 13F+1 0.12007 0.00308 -0.09335 -0.00258 0.24048
|
|
90 13F-1 0.19346 0.02125 0.11239 -0.04902 0.10109
|
|
91 13F+2 0.05851 -0.02061 -0.03721 0.03156 0.13141
|
|
92 13F-2 -0.15939 -0.02611 0.01967 0.07023 -0.13098
|
|
93 13F+3 -0.04490 -0.05853 -0.08221 0.03379 -0.14530
|
|
94 13F-3 0.22160 0.03284 0.02468 0.26718 0.09060
|
|
95 14F 0 0.11644 -0.13236 -0.14224 -0.01818 -0.03126
|
|
96 14F+1 -0.08546 0.26187 0.13674 -0.19920 -0.47902
|
|
97 14F-1 -0.29305 -0.10181 -0.20147 0.03346 -0.15859
|
|
98 14F+2 -0.11371 0.37357 -0.12210 0.11623 -0.28951
|
|
99 14F-2 0.40574 0.13875 0.00568 -0.19572 0.21921
|
|
100 14F+3 -0.04847 -0.08392 0.42086 -0.09346 0.18655
|
|
101 14F-3 -0.31516 -0.10120 -0.04294 -0.04584 -0.05412
|
|
102 15G 0 -0.13461 -0.06583 0.00737 0.02977 -0.07944
|
|
103 15G+1 0.08553 0.02403 0.26377 -0.25660 -0.10573
|
|
104 15G-1 -0.15783 0.01330 0.08630 0.00341 -0.04712
|
|
105 15G+2 -0.00060 0.25085 0.06491 -0.00718 -0.05826
|
|
106 15G-2 -0.05178 -0.17331 -0.05411 0.01844 0.21615
|
|
107 15G+3 0.05683 0.28097 -0.06279 -0.04493 -0.09338
|
|
108 15G-3 0.07120 -0.08786 -0.11369 0.01963 -0.00147
|
|
109 15G+4 -0.08545 -0.06322 0.23156 -0.08276 -0.02556
|
|
110 15G-4 -0.02843 0.05779 -0.09515 0.16604 -0.10393
|
|
111 3 H 1S -0.12750 0.01735 0.20573 0.15117 -0.05788
|
|
112 2S -0.40228 -0.22949 -0.62706 -0.34284 1.02150
|
|
113 3S 1.38903 -1.20968 -1.86454 -1.14027 -1.40668
|
|
114 4S 0.16418 -0.07626 -0.36967 -0.12548 -0.14793
|
|
115 5PX -0.01283 0.12648 -0.33140 -0.02626 -0.27308
|
|
116 5PY 0.16778 0.17520 -0.08395 -0.15251 -0.27030
|
|
117 5PZ -0.10171 -0.01456 0.22182 0.01209 -0.02717
|
|
118 6PX -0.02924 0.01002 0.54011 -0.02504 0.49080
|
|
119 6PY -0.35664 -0.14993 0.32628 0.43497 0.43271
|
|
120 6PZ 0.14713 0.29422 0.11066 0.19202 -0.21628
|
|
121 7PX -0.21704 0.35726 0.21988 -0.02290 0.32903
|
|
122 7PY -0.45386 0.19253 0.30210 0.41718 0.51173
|
|
123 7PZ -0.90557 0.54007 0.88624 0.54607 0.71366
|
|
124 8D 0 -0.42440 0.07806 0.20296 0.12060 0.34671
|
|
125 8D+1 -0.09986 0.10236 0.19896 -0.14293 0.17440
|
|
126 8D-1 -0.23418 0.00222 0.10271 0.13017 0.19376
|
|
127 8D+2 0.10291 0.00858 -0.01457 -0.08037 -0.24699
|
|
128 8D-2 -0.18159 0.20767 -0.05516 0.21968 0.08281
|
|
129 9D 0 0.47290 -0.25361 -0.26084 -0.15768 -0.25788
|
|
130 9D+1 0.23431 -0.33542 -0.41613 0.10858 -0.48743
|
|
131 9D-1 0.55651 -0.03795 -0.30270 -0.46615 -0.57428
|
|
132 9D+2 -0.27424 0.11700 0.08677 0.23930 0.20224
|
|
133 9D-2 0.23683 -0.10675 0.04921 -0.07442 -0.37504
|
|
134 10F 0 -0.08257 0.03286 -0.02389 -0.02324 -0.05283
|
|
135 10F+1 -0.12811 0.20835 0.25207 0.11813 0.09261
|
|
136 10F-1 -0.12301 0.00704 0.11100 0.14643 0.12018
|
|
137 10F+2 0.16215 -0.10104 -0.08352 -0.12363 -0.00480
|
|
138 10F-2 -0.11163 -0.07850 0.00634 -0.04396 0.21645
|
|
139 10F+3 0.07247 -0.07068 -0.02161 -0.01291 -0.07018
|
|
140 10F-3 0.03471 -0.16604 -0.05214 -0.13436 0.05800
|
|
141 4 H 1S -0.04418 0.16339 -0.06084 -0.26275 0.12230
|
|
142 2S -0.44967 -0.77310 0.19623 0.71315 0.43850
|
|
143 3S 1.37743 -2.41728 1.98457 2.22851 -1.31763
|
|
144 4S 0.06455 -0.32388 0.25490 0.20799 -0.11398
|
|
145 5PX 0.03484 0.03124 0.11939 -0.05965 0.09150
|
|
146 5PY 0.41670 0.07885 0.44003 -0.21217 -0.02842
|
|
147 5PZ -0.12972 -0.18780 0.00234 0.07976 -0.13314
|
|
148 6PX -0.07225 -0.68862 0.19630 0.64457 -0.09358
|
|
149 6PY -0.69504 0.25638 -1.05792 0.13030 0.03859
|
|
150 6PZ 0.33469 0.02481 -0.03990 -0.10144 0.21180
|
|
151 7PX 0.75947 -0.99261 0.86610 1.28038 -0.86032
|
|
152 7PY -0.24657 0.67231 -0.89513 -0.18590 0.25568
|
|
153 7PZ 0.30547 -0.46857 -0.09540 0.19258 -0.23072
|
|
154 8D 0 0.18592 -0.08307 0.39143 0.42180 -0.25337
|
|
155 8D+1 -0.17114 0.22194 0.07159 -0.21409 0.07182
|
|
156 8D-1 0.04422 -0.34839 0.03237 0.01881 -0.07586
|
|
157 8D+2 -0.26872 -0.07937 0.01659 -0.25622 0.33547
|
|
158 8D-2 0.07626 -0.15945 0.18255 -0.20834 -0.19155
|
|
159 9D 0 -0.24397 0.39339 -0.51690 -0.51736 0.36167
|
|
160 9D+1 0.49526 -0.46828 -0.14498 0.14240 -0.05372
|
|
161 9D-1 -0.12016 0.19489 -0.12692 0.00424 0.16954
|
|
162 9D+2 0.25991 -0.12133 -0.00369 0.68049 -0.46804
|
|
163 9D-2 -0.46146 0.55505 -0.99039 0.03780 0.29628
|
|
164 10F 0 -0.13216 0.23079 0.03051 0.02915 -0.01230
|
|
165 10F+1 -0.00992 0.16551 -0.12477 -0.12264 0.10388
|
|
166 10F-1 0.06131 -0.16437 0.13765 -0.01720 0.05249
|
|
167 10F+2 0.17525 -0.18120 0.00531 0.07851 0.02735
|
|
168 10F-2 -0.00604 -0.05560 -0.05546 -0.01544 0.12899
|
|
169 10F+3 -0.00126 0.06553 -0.08561 0.24292 -0.07465
|
|
170 10F-3 -0.14680 0.17610 -0.37029 -0.05076 0.00996
|
|
171 5 H 1S -0.12750 -0.01735 -0.20573 0.15117 0.05788
|
|
172 2S -0.40228 0.22949 0.62706 -0.34284 -1.02150
|
|
173 3S 1.38903 1.20968 1.86454 -1.14027 1.40668
|
|
174 4S 0.16418 0.07626 0.36967 -0.12548 0.14793
|
|
175 5PX 0.01283 0.12648 -0.33140 0.02626 -0.27308
|
|
176 5PY -0.16778 0.17520 -0.08395 0.15251 -0.27030
|
|
177 5PZ -0.10171 0.01456 -0.22182 0.01209 0.02717
|
|
178 6PX 0.02924 0.01002 0.54011 0.02504 0.49080
|
|
179 6PY 0.35664 -0.14993 0.32628 -0.43497 0.43271
|
|
180 6PZ 0.14713 -0.29422 -0.11066 0.19202 0.21628
|
|
181 7PX 0.21704 0.35726 0.21988 0.02290 0.32903
|
|
182 7PY 0.45386 0.19253 0.30210 -0.41718 0.51173
|
|
183 7PZ -0.90557 -0.54007 -0.88624 0.54607 -0.71366
|
|
184 8D 0 -0.42440 -0.07806 -0.20296 0.12060 -0.34671
|
|
185 8D+1 0.09986 0.10236 0.19896 0.14293 0.17440
|
|
186 8D-1 0.23418 0.00222 0.10271 -0.13017 0.19376
|
|
187 8D+2 0.10291 -0.00858 0.01457 -0.08037 0.24699
|
|
188 8D-2 -0.18159 -0.20767 0.05516 0.21968 -0.08281
|
|
189 9D 0 0.47290 0.25361 0.26084 -0.15768 0.25788
|
|
190 9D+1 -0.23431 -0.33542 -0.41613 -0.10858 -0.48743
|
|
191 9D-1 -0.55651 -0.03795 -0.30270 0.46615 -0.57428
|
|
192 9D+2 -0.27424 -0.11700 -0.08677 0.23930 -0.20224
|
|
193 9D-2 0.23683 0.10675 -0.04921 -0.07442 0.37504
|
|
194 10F 0 -0.08257 -0.03286 0.02389 -0.02324 0.05283
|
|
195 10F+1 0.12811 0.20835 0.25207 -0.11813 0.09261
|
|
196 10F-1 0.12301 0.00704 0.11100 -0.14643 0.12018
|
|
197 10F+2 0.16215 0.10104 0.08352 -0.12363 0.00480
|
|
198 10F-2 -0.11163 0.07850 -0.00634 -0.04396 -0.21645
|
|
199 10F+3 -0.07247 -0.07068 -0.02161 0.01291 -0.07018
|
|
200 10F-3 -0.03471 -0.16604 -0.05214 0.13436 0.05800
|
|
201 6 H 1S -0.04418 -0.16339 0.06084 -0.26275 -0.12230
|
|
202 2S -0.44967 0.77310 -0.19623 0.71315 -0.43850
|
|
203 3S 1.37743 2.41728 -1.98457 2.22851 1.31763
|
|
204 4S 0.06455 0.32388 -0.25490 0.20799 0.11398
|
|
205 5PX -0.03484 0.03124 0.11939 0.05965 0.09150
|
|
206 5PY -0.41670 0.07885 0.44003 0.21217 -0.02842
|
|
207 5PZ -0.12972 0.18780 -0.00234 0.07976 0.13314
|
|
208 6PX 0.07225 -0.68862 0.19630 -0.64457 -0.09358
|
|
209 6PY 0.69504 0.25638 -1.05792 -0.13030 0.03859
|
|
210 6PZ 0.33469 -0.02481 0.03990 -0.10144 -0.21180
|
|
211 7PX -0.75947 -0.99261 0.86610 -1.28038 -0.86032
|
|
212 7PY 0.24657 0.67231 -0.89513 0.18590 0.25568
|
|
213 7PZ 0.30547 0.46857 0.09540 0.19258 0.23072
|
|
214 8D 0 0.18592 0.08307 -0.39143 0.42180 0.25337
|
|
215 8D+1 0.17114 0.22194 0.07159 0.21409 0.07182
|
|
216 8D-1 -0.04422 -0.34839 0.03237 -0.01881 -0.07586
|
|
217 8D+2 -0.26872 0.07937 -0.01659 -0.25622 -0.33547
|
|
218 8D-2 0.07626 0.15945 -0.18255 -0.20834 0.19155
|
|
219 9D 0 -0.24397 -0.39339 0.51690 -0.51736 -0.36167
|
|
220 9D+1 -0.49526 -0.46828 -0.14498 -0.14240 -0.05372
|
|
221 9D-1 0.12016 0.19489 -0.12692 -0.00424 0.16954
|
|
222 9D+2 0.25991 0.12133 0.00369 0.68049 0.46804
|
|
223 9D-2 -0.46146 -0.55505 0.99039 0.03780 -0.29628
|
|
224 10F 0 -0.13216 -0.23079 -0.03051 0.02915 0.01230
|
|
225 10F+1 0.00992 0.16551 -0.12477 0.12264 0.10388
|
|
226 10F-1 -0.06131 -0.16437 0.13765 0.01720 0.05249
|
|
227 10F+2 0.17525 0.18120 -0.00531 0.07851 -0.02735
|
|
228 10F-2 -0.00604 0.05560 0.05546 -0.01544 -0.12899
|
|
229 10F+3 0.00126 0.06553 -0.08561 -0.24292 -0.07465
|
|
230 10F-3 0.14680 0.17610 -0.37029 0.05076 0.00996
|
|
171 172 173 174 175
|
|
V V V V V
|
|
Eigenvalues -- 8.59864 8.61982 8.64355 8.65911 8.67349
|
|
1 1 N 1S 0.01339 -0.00826 0.00092 -0.00686 -0.00465
|
|
2 2S -0.04984 0.03298 -0.03207 0.03054 0.01561
|
|
3 3S -0.22359 0.48923 -0.29550 0.31390 0.53882
|
|
4 4S -0.82994 -1.33615 -0.42767 0.09555 -2.32474
|
|
5 5S -1.38777 -1.59043 -0.93425 0.29415 -0.92203
|
|
6 6PX -0.12612 -0.09520 -0.12308 0.22875 0.07780
|
|
7 6PY -0.08515 0.07684 -0.02842 0.02434 -0.04713
|
|
8 6PZ 0.01862 -0.18560 0.13483 -0.01344 0.19564
|
|
9 7PX 0.48807 0.46356 0.18618 -0.50513 -0.25192
|
|
10 7PY 0.03758 -0.05892 -0.00202 0.05570 0.06062
|
|
11 7PZ 0.05153 0.68086 -0.38791 0.06877 -0.37319
|
|
12 8PX -0.13954 0.43363 -0.03152 2.06491 2.43053
|
|
13 8PY -0.09991 -0.37774 -0.78512 -0.49243 -0.46089
|
|
14 8PZ -0.08482 -1.44954 0.06120 0.34609 0.44969
|
|
15 9PX 0.36772 0.30844 0.06167 0.40951 0.23962
|
|
16 9PY 0.15746 0.14154 0.18528 -0.35523 -0.10492
|
|
17 9PZ -0.14399 -0.14877 -0.12668 0.16275 -0.06396
|
|
18 10D 0 0.07076 -0.02907 -0.02722 0.00359 0.05795
|
|
19 10D+1 0.07713 -0.07556 -0.02240 -0.01912 -0.06860
|
|
20 10D-1 -0.11206 -0.05276 0.08816 0.01170 -0.02756
|
|
21 10D+2 0.03749 -0.00923 0.00964 -0.05214 -0.02259
|
|
22 10D-2 -0.03872 -0.05808 0.09464 0.07739 0.02774
|
|
23 11D 0 0.12404 0.25666 0.07407 0.01818 -0.28104
|
|
24 11D+1 -0.35251 0.37212 0.16254 0.22739 0.03117
|
|
25 11D-1 -0.05674 -0.01883 -0.18559 -0.12374 0.18955
|
|
26 11D+2 -0.29838 0.02668 0.23555 -0.00725 -0.03950
|
|
27 11D-2 -0.15326 0.25049 -0.06662 -0.02507 0.41841
|
|
28 12D 0 0.21177 -0.21145 0.37401 0.20764 -0.15811
|
|
29 12D+1 -0.33884 0.32985 0.24372 0.38985 -0.14891
|
|
30 12D-1 -0.05687 -0.20497 -0.03846 0.35010 0.23208
|
|
31 12D+2 -0.06248 0.17300 0.38909 -0.66829 -0.39954
|
|
32 12D-2 -0.00922 0.09798 0.59257 0.45321 0.37997
|
|
33 13F 0 -0.17112 -0.04870 -0.07428 0.10789 0.06849
|
|
34 13F+1 0.01182 0.06612 -0.09966 -0.02835 -0.02786
|
|
35 13F-1 0.26817 0.18966 -0.10080 0.09334 0.17218
|
|
36 13F+2 0.05567 0.08167 -0.09036 -0.02899 -0.06674
|
|
37 13F-2 -0.12689 0.10453 -0.08835 -0.01065 -0.05602
|
|
38 13F+3 0.04240 0.11556 0.19373 0.00148 0.00729
|
|
39 13F-3 0.02373 -0.10601 0.13575 -0.04662 0.07207
|
|
40 14F 0 0.29553 0.11026 0.18698 -0.12764 -0.61373
|
|
41 14F+1 -0.38068 -0.28050 0.15567 0.21979 0.12870
|
|
42 14F-1 -0.12858 -0.10325 0.08742 -0.25516 -0.08469
|
|
43 14F+2 -0.06201 -0.26058 0.15409 0.33818 0.42251
|
|
44 14F-2 0.07105 -0.13744 -0.02948 0.11713 0.04279
|
|
45 14F+3 0.09932 -0.04433 -0.26093 0.22082 -0.19081
|
|
46 14F-3 0.01443 -0.23106 -0.00434 0.09990 -0.14855
|
|
47 15G 0 0.00934 -0.15666 0.00107 0.00005 -0.07574
|
|
48 15G+1 -0.13897 -0.03385 -0.01535 0.09381 0.10641
|
|
49 15G-1 0.07661 0.16336 0.00678 -0.18292 -0.11818
|
|
50 15G+2 0.17132 -0.01347 0.08530 0.10692 0.13704
|
|
51 15G-2 -0.18498 -0.28897 0.06073 0.19371 -0.09143
|
|
52 15G+3 -0.16689 0.24032 -0.00037 -0.07260 -0.25772
|
|
53 15G-3 -0.09131 -0.14194 0.27023 0.09447 0.25735
|
|
54 15G+4 0.04347 0.01119 0.16453 -0.03616 -0.05726
|
|
55 15G-4 0.06275 0.12580 -0.14629 0.04247 0.08738
|
|
56 2 N 1S 0.01339 0.00826 0.00092 0.00686 -0.00465
|
|
57 2S -0.04984 -0.03298 -0.03207 -0.03054 0.01561
|
|
58 3S -0.22359 -0.48923 -0.29550 -0.31390 0.53882
|
|
59 4S -0.82994 1.33615 -0.42767 -0.09555 -2.32474
|
|
60 5S -1.38777 1.59043 -0.93425 -0.29415 -0.92203
|
|
61 6PX 0.12612 -0.09520 0.12308 0.22875 -0.07780
|
|
62 6PY 0.08515 0.07684 0.02842 0.02434 0.04713
|
|
63 6PZ 0.01862 0.18560 0.13483 0.01344 0.19564
|
|
64 7PX -0.48807 0.46356 -0.18618 -0.50513 0.25192
|
|
65 7PY -0.03758 -0.05892 0.00202 0.05570 -0.06062
|
|
66 7PZ 0.05153 -0.68086 -0.38791 -0.06877 -0.37319
|
|
67 8PX 0.13954 0.43363 0.03152 2.06491 -2.43053
|
|
68 8PY 0.09991 -0.37774 0.78512 -0.49243 0.46089
|
|
69 8PZ -0.08482 1.44954 0.06120 -0.34609 0.44969
|
|
70 9PX -0.36772 0.30844 -0.06167 0.40951 -0.23962
|
|
71 9PY -0.15746 0.14154 -0.18528 -0.35523 0.10492
|
|
72 9PZ -0.14399 0.14877 -0.12668 -0.16275 -0.06396
|
|
73 10D 0 0.07076 0.02907 -0.02722 -0.00359 0.05795
|
|
74 10D+1 -0.07713 -0.07556 0.02240 -0.01912 0.06860
|
|
75 10D-1 0.11206 -0.05276 -0.08816 0.01170 0.02756
|
|
76 10D+2 0.03749 0.00923 0.00964 0.05214 -0.02259
|
|
77 10D-2 -0.03872 0.05808 0.09464 -0.07739 0.02774
|
|
78 11D 0 0.12404 -0.25666 0.07407 -0.01818 -0.28104
|
|
79 11D+1 0.35251 0.37212 -0.16254 0.22739 -0.03117
|
|
80 11D-1 0.05674 -0.01883 0.18559 -0.12374 -0.18955
|
|
81 11D+2 -0.29838 -0.02668 0.23555 0.00725 -0.03950
|
|
82 11D-2 -0.15326 -0.25049 -0.06662 0.02507 0.41841
|
|
83 12D 0 0.21177 0.21145 0.37401 -0.20764 -0.15811
|
|
84 12D+1 0.33884 0.32985 -0.24372 0.38985 0.14891
|
|
85 12D-1 0.05687 -0.20497 0.03846 0.35010 -0.23208
|
|
86 12D+2 -0.06248 -0.17300 0.38909 0.66829 -0.39954
|
|
87 12D-2 -0.00922 -0.09798 0.59257 -0.45321 0.37997
|
|
88 13F 0 -0.17112 0.04870 -0.07428 -0.10789 0.06849
|
|
89 13F+1 -0.01182 0.06612 0.09966 -0.02835 0.02786
|
|
90 13F-1 -0.26817 0.18966 0.10080 0.09334 -0.17218
|
|
91 13F+2 0.05567 -0.08167 -0.09036 0.02899 -0.06674
|
|
92 13F-2 -0.12689 -0.10453 -0.08835 0.01065 -0.05602
|
|
93 13F+3 -0.04240 0.11556 -0.19373 0.00148 -0.00729
|
|
94 13F-3 -0.02373 -0.10601 -0.13575 -0.04662 -0.07207
|
|
95 14F 0 0.29553 -0.11026 0.18698 0.12764 -0.61373
|
|
96 14F+1 0.38068 -0.28050 -0.15567 0.21979 -0.12870
|
|
97 14F-1 0.12858 -0.10325 -0.08742 -0.25516 0.08469
|
|
98 14F+2 -0.06201 0.26058 0.15409 -0.33818 0.42251
|
|
99 14F-2 0.07105 0.13744 -0.02948 -0.11713 0.04279
|
|
100 14F+3 -0.09932 -0.04433 0.26093 0.22082 0.19081
|
|
101 14F-3 -0.01443 -0.23106 0.00434 0.09990 0.14855
|
|
102 15G 0 0.00934 0.15666 0.00107 -0.00005 -0.07574
|
|
103 15G+1 0.13897 -0.03385 0.01535 0.09381 -0.10641
|
|
104 15G-1 -0.07661 0.16336 -0.00678 -0.18292 0.11818
|
|
105 15G+2 0.17132 0.01347 0.08530 -0.10692 0.13704
|
|
106 15G-2 -0.18498 0.28897 0.06073 -0.19371 -0.09143
|
|
107 15G+3 0.16689 0.24032 0.00037 -0.07260 0.25772
|
|
108 15G-3 0.09131 -0.14194 -0.27023 0.09447 -0.25735
|
|
109 15G+4 0.04347 -0.01119 0.16453 0.03616 -0.05726
|
|
110 15G-4 0.06275 -0.12580 -0.14629 -0.04247 0.08738
|
|
111 3 H 1S 0.04616 -0.13339 0.00187 0.03362 0.05773
|
|
112 2S 0.11781 0.90925 -0.42596 0.00634 0.15986
|
|
113 3S 0.46285 -0.22392 1.04170 -1.21780 0.22393
|
|
114 4S 0.03423 -0.02043 0.05497 -0.09831 0.03248
|
|
115 5PX -0.50088 -0.02824 0.12723 0.40670 0.49867
|
|
116 5PY -0.08764 -0.01670 -0.28977 0.17835 0.27103
|
|
117 5PZ 0.15097 -0.25589 0.29414 -0.16063 -0.22361
|
|
118 6PX 0.83522 0.11662 -0.27660 -0.87371 -1.04026
|
|
119 6PY 0.11473 -0.07456 0.51283 -0.09958 -0.48109
|
|
120 6PZ -0.39406 0.13778 -0.42666 0.29915 0.21766
|
|
121 7PX 0.19905 0.00716 -0.31531 -0.22284 -0.22518
|
|
122 7PY -0.22897 0.14819 -0.15543 0.56941 -0.20350
|
|
123 7PZ 0.00411 0.34050 -0.52275 0.54865 0.09431
|
|
124 8D 0 0.27408 0.18264 -0.15432 0.04276 0.15740
|
|
125 8D+1 0.20571 -0.01388 -0.15580 0.09712 -0.01739
|
|
126 8D-1 -0.20164 0.03065 -0.10240 -0.08721 -0.20514
|
|
127 8D+2 0.04302 -0.08860 -0.13304 -0.56391 -0.13874
|
|
128 8D-2 0.09207 -0.08783 0.11153 0.13851 -0.10820
|
|
129 9D 0 0.00853 -0.35996 0.44916 -0.23779 -0.43827
|
|
130 9D+1 -0.53122 -0.27691 0.47835 0.43694 0.62599
|
|
131 9D-1 0.20332 -0.25211 -0.03409 -0.23917 0.33590
|
|
132 9D+2 -0.22140 -0.00311 0.14011 0.66855 0.06815
|
|
133 9D-2 -0.33774 0.17298 -0.11124 0.01684 0.36228
|
|
134 10F 0 -0.08308 0.00129 -0.09614 0.06361 0.28293
|
|
135 10F+1 0.10734 0.18037 -0.23783 -0.13084 -0.24438
|
|
136 10F-1 -0.08478 0.28509 0.03611 0.08177 -0.06920
|
|
137 10F+2 0.17646 0.07699 -0.02512 -0.19316 0.05354
|
|
138 10F-2 0.17287 -0.14153 0.03096 0.00646 -0.15463
|
|
139 10F+3 0.00815 0.20549 0.01648 -0.10139 0.15036
|
|
140 10F-3 0.13978 -0.10885 0.04569 -0.07447 0.01756
|
|
141 4 H 1S 0.02467 -0.02459 0.05520 -0.28958 -0.35577
|
|
142 2S -0.16216 -0.12795 -0.33413 1.11517 1.53863
|
|
143 3S 1.99980 1.72595 0.84509 0.98188 1.64601
|
|
144 4S 0.08831 0.14553 0.04824 0.17159 0.09248
|
|
145 5PX -0.18039 -0.17158 -0.06943 0.20033 -0.08270
|
|
146 5PY 0.10228 -0.19672 -0.44862 0.13477 -0.14167
|
|
147 5PZ -0.09720 -0.52513 -0.10124 -0.11020 0.31419
|
|
148 6PX 0.42589 0.44767 0.08423 0.07084 0.91418
|
|
149 6PY -0.27112 0.36336 0.80967 -0.41989 -0.00824
|
|
150 6PZ 0.33464 1.07393 0.05952 0.12890 -0.50173
|
|
151 7PX 0.77066 0.79414 0.37211 0.31882 0.73191
|
|
152 7PY -0.49350 -0.11143 -0.26534 -0.05526 -0.13658
|
|
153 7PZ 0.25410 0.65951 0.09563 0.14220 0.08898
|
|
154 8D 0 0.22155 -0.05457 0.30284 -0.00169 -0.16109
|
|
155 8D+1 0.10358 -0.25049 -0.23913 0.01332 -0.02532
|
|
156 8D-1 0.18496 0.09589 -0.02039 0.34537 0.14981
|
|
157 8D+2 -0.00880 -0.25982 0.22936 -0.08763 -0.15063
|
|
158 8D-2 0.04977 0.03921 0.17135 -0.07197 0.01678
|
|
159 9D 0 -0.34343 0.13607 -0.35017 0.07378 -0.17035
|
|
160 9D+1 0.29731 1.01626 0.19068 -0.11472 -0.19747
|
|
161 9D-1 -0.15859 -0.25786 -0.01433 -0.33441 0.06365
|
|
162 9D+2 0.15328 0.56094 -0.05126 -0.04480 0.40620
|
|
163 9D-2 -0.43179 0.10993 0.08104 -0.09059 0.02487
|
|
164 10F 0 -0.18165 -0.19221 -0.17406 0.00105 -0.03729
|
|
165 10F+1 -0.07045 0.15079 -0.11248 0.02456 -0.15174
|
|
166 10F-1 0.19960 -0.05269 -0.02698 -0.07953 -0.01037
|
|
167 10F+2 0.12176 0.30767 -0.04761 -0.10967 -0.00852
|
|
168 10F-2 0.01316 -0.09387 -0.12400 -0.13113 0.13243
|
|
169 10F+3 -0.06437 0.17417 -0.04773 -0.03293 0.12986
|
|
170 10F-3 -0.21304 0.03552 0.10713 -0.02521 0.08424
|
|
171 5 H 1S 0.04616 0.13339 0.00187 -0.03362 0.05773
|
|
172 2S 0.11781 -0.90925 -0.42596 -0.00634 0.15986
|
|
173 3S 0.46285 0.22392 1.04170 1.21780 0.22393
|
|
174 4S 0.03423 0.02043 0.05497 0.09831 0.03248
|
|
175 5PX 0.50088 -0.02824 -0.12723 0.40670 -0.49867
|
|
176 5PY 0.08764 -0.01670 0.28977 0.17835 -0.27103
|
|
177 5PZ 0.15097 0.25589 0.29414 0.16063 -0.22361
|
|
178 6PX -0.83522 0.11662 0.27660 -0.87371 1.04026
|
|
179 6PY -0.11473 -0.07456 -0.51283 -0.09958 0.48109
|
|
180 6PZ -0.39406 -0.13778 -0.42666 -0.29915 0.21766
|
|
181 7PX -0.19905 0.00716 0.31531 -0.22284 0.22518
|
|
182 7PY 0.22897 0.14819 0.15543 0.56941 0.20350
|
|
183 7PZ 0.00411 -0.34050 -0.52275 -0.54865 0.09431
|
|
184 8D 0 0.27408 -0.18264 -0.15432 -0.04276 0.15740
|
|
185 8D+1 -0.20571 -0.01388 0.15580 0.09712 0.01739
|
|
186 8D-1 0.20164 0.03065 0.10240 -0.08721 0.20514
|
|
187 8D+2 0.04302 0.08860 -0.13304 0.56391 -0.13874
|
|
188 8D-2 0.09207 0.08783 0.11153 -0.13851 -0.10820
|
|
189 9D 0 0.00853 0.35996 0.44916 0.23779 -0.43827
|
|
190 9D+1 0.53122 -0.27691 -0.47835 0.43694 -0.62599
|
|
191 9D-1 -0.20332 -0.25211 0.03409 -0.23917 -0.33590
|
|
192 9D+2 -0.22140 0.00311 0.14011 -0.66855 0.06815
|
|
193 9D-2 -0.33774 -0.17298 -0.11124 -0.01684 0.36228
|
|
194 10F 0 -0.08308 -0.00129 -0.09614 -0.06361 0.28293
|
|
195 10F+1 -0.10734 0.18037 0.23783 -0.13084 0.24438
|
|
196 10F-1 0.08478 0.28509 -0.03611 0.08177 0.06920
|
|
197 10F+2 0.17646 -0.07699 -0.02512 0.19316 0.05354
|
|
198 10F-2 0.17287 0.14153 0.03096 -0.00646 -0.15463
|
|
199 10F+3 -0.00815 0.20549 -0.01648 -0.10139 -0.15036
|
|
200 10F-3 -0.13978 -0.10885 -0.04569 -0.07447 -0.01756
|
|
201 6 H 1S 0.02467 0.02459 0.05520 0.28958 -0.35577
|
|
202 2S -0.16216 0.12795 -0.33413 -1.11517 1.53863
|
|
203 3S 1.99980 -1.72595 0.84509 -0.98188 1.64601
|
|
204 4S 0.08831 -0.14553 0.04824 -0.17159 0.09248
|
|
205 5PX 0.18039 -0.17158 0.06943 0.20033 0.08270
|
|
206 5PY -0.10228 -0.19672 0.44862 0.13477 0.14167
|
|
207 5PZ -0.09720 0.52513 -0.10124 0.11020 0.31419
|
|
208 6PX -0.42589 0.44767 -0.08423 0.07084 -0.91418
|
|
209 6PY 0.27112 0.36336 -0.80967 -0.41989 0.00824
|
|
210 6PZ 0.33464 -1.07393 0.05952 -0.12890 -0.50173
|
|
211 7PX -0.77066 0.79414 -0.37211 0.31882 -0.73191
|
|
212 7PY 0.49350 -0.11143 0.26534 -0.05526 0.13658
|
|
213 7PZ 0.25410 -0.65951 0.09563 -0.14220 0.08898
|
|
214 8D 0 0.22155 0.05457 0.30284 0.00169 -0.16109
|
|
215 8D+1 -0.10358 -0.25049 0.23913 0.01332 0.02532
|
|
216 8D-1 -0.18496 0.09589 0.02039 0.34537 -0.14981
|
|
217 8D+2 -0.00880 0.25982 0.22936 0.08763 -0.15063
|
|
218 8D-2 0.04977 -0.03921 0.17135 0.07197 0.01678
|
|
219 9D 0 -0.34343 -0.13607 -0.35017 -0.07378 -0.17035
|
|
220 9D+1 -0.29731 1.01626 -0.19068 -0.11472 0.19747
|
|
221 9D-1 0.15859 -0.25786 0.01433 -0.33441 -0.06365
|
|
222 9D+2 0.15328 -0.56094 -0.05126 0.04480 0.40620
|
|
223 9D-2 -0.43179 -0.10993 0.08104 0.09059 0.02487
|
|
224 10F 0 -0.18165 0.19221 -0.17406 -0.00105 -0.03729
|
|
225 10F+1 0.07045 0.15079 0.11248 0.02456 0.15174
|
|
226 10F-1 -0.19960 -0.05269 0.02698 -0.07953 0.01037
|
|
227 10F+2 0.12176 -0.30767 -0.04761 0.10967 -0.00852
|
|
228 10F-2 0.01316 0.09387 -0.12400 0.13113 0.13243
|
|
229 10F+3 0.06437 0.17417 0.04773 -0.03293 -0.12986
|
|
230 10F-3 0.21304 0.03552 -0.10713 -0.02521 -0.08424
|
|
176 177 178 179 180
|
|
V V V V V
|
|
Eigenvalues -- 8.70350 8.77648 8.80830 8.82467 8.87542
|
|
1 1 N 1S 0.00588 0.00134 -0.00546 0.00908 -0.02537
|
|
2 2S -0.01564 -0.00478 0.00992 -0.03840 0.06089
|
|
3 3S -0.49657 0.12401 0.11299 -0.88212 -0.15087
|
|
4 4S 2.15421 -0.99635 0.14571 3.18293 2.94447
|
|
5 5S 1.55824 -0.25227 0.41687 0.41558 2.58337
|
|
6 6PX -0.17949 -0.27048 0.03515 0.05586 -0.09234
|
|
7 6PY -0.14282 -0.00830 0.08970 0.11960 -0.15960
|
|
8 6PZ -0.09709 -0.35971 0.10577 -0.01105 0.00088
|
|
9 7PX 0.44639 0.68177 0.05664 -0.12008 -0.02773
|
|
10 7PY 0.36053 0.00913 -0.29551 -0.19305 0.36688
|
|
11 7PZ 0.33694 0.73076 -0.09138 -0.03540 0.17391
|
|
12 8PX -0.40754 -1.05751 -0.14946 -0.17672 -0.57934
|
|
13 8PY -0.60181 -0.74236 2.10757 1.83522 0.25413
|
|
14 8PZ 0.97708 -1.23888 0.75930 1.41959 -0.17180
|
|
15 9PX -0.25509 -0.42841 -0.03220 -0.21185 -0.19425
|
|
16 9PY -0.36767 -0.13319 0.03882 0.48821 -0.32008
|
|
17 9PZ -0.09550 -0.31888 0.04232 -0.01865 0.23498
|
|
18 10D 0 0.00038 0.01230 -0.12304 -0.04956 0.02118
|
|
19 10D+1 0.02939 0.00340 0.08015 0.10023 0.14124
|
|
20 10D-1 0.02272 -0.00177 0.03738 0.14058 -0.14539
|
|
21 10D+2 -0.01078 0.03214 0.04146 -0.02324 -0.03390
|
|
22 10D-2 0.04672 0.05922 0.10620 0.00425 0.07344
|
|
23 11D 0 -0.38307 -0.29094 0.20970 -0.19708 0.01251
|
|
24 11D+1 -0.07482 -0.14830 -0.10970 -0.02158 0.54735
|
|
25 11D-1 0.14567 -0.33688 0.39380 0.10520 0.07263
|
|
26 11D+2 0.10223 0.28893 -0.22936 0.06458 0.06260
|
|
27 11D-2 0.05533 -0.21240 0.26236 -0.28563 -0.23557
|
|
28 12D 0 -0.91781 -0.81314 0.00269 -0.03053 -0.15060
|
|
29 12D+1 -0.11928 -0.07166 0.00466 -0.00569 0.71934
|
|
30 12D-1 -0.33280 -0.75589 0.36869 0.62176 -0.26001
|
|
31 12D+2 0.25782 0.67936 0.13030 0.19888 -0.17908
|
|
32 12D-2 -0.16923 -0.32597 0.14977 -0.35166 -0.24104
|
|
33 13F 0 0.15650 0.00946 0.20167 0.08718 -0.00205
|
|
34 13F+1 -0.06124 -0.13176 0.05327 -0.06701 0.04396
|
|
35 13F-1 0.17982 0.18329 0.00545 -0.02152 0.00082
|
|
36 13F+2 -0.05886 -0.01210 0.21478 -0.02607 -0.00947
|
|
37 13F-2 0.02171 0.01668 -0.12304 -0.06798 -0.31302
|
|
38 13F+3 0.10431 0.08244 0.02724 0.12139 -0.06434
|
|
39 13F-3 -0.14744 -0.06216 0.09896 -0.22514 -0.01377
|
|
40 14F 0 -0.55806 -0.15467 -0.45092 -0.19756 0.19895
|
|
41 14F+1 0.59403 0.42061 -0.30993 0.46990 0.03738
|
|
42 14F-1 -0.24808 -0.59531 0.56768 0.10038 0.18430
|
|
43 14F+2 0.35746 0.35838 -0.87958 0.18449 -0.08882
|
|
44 14F-2 0.02903 -0.12107 0.26409 0.53087 0.70852
|
|
45 14F+3 -0.25743 -0.13663 -0.21375 -0.09207 0.04245
|
|
46 14F-3 0.41289 0.31414 -0.55228 0.61581 0.55855
|
|
47 15G 0 0.14146 0.04054 -0.07565 -0.00529 -0.04305
|
|
48 15G+1 0.01119 -0.07620 -0.11129 -0.08699 -0.13241
|
|
49 15G-1 0.04047 -0.12688 0.14601 0.14208 0.27896
|
|
50 15G+2 0.01353 0.09990 -0.07585 -0.07823 0.14025
|
|
51 15G-2 0.11814 -0.04218 0.01182 0.33954 0.13022
|
|
52 15G+3 -0.06568 0.03549 -0.15486 -0.02815 -0.16889
|
|
53 15G-3 0.01632 0.02064 -0.14703 0.05719 -0.03845
|
|
54 15G+4 0.12029 0.04782 -0.03540 -0.10115 0.12981
|
|
55 15G-4 -0.02164 -0.05693 0.11744 -0.22298 -0.18781
|
|
56 2 N 1S -0.00588 0.00134 0.00546 0.00908 0.02537
|
|
57 2S 0.01564 -0.00478 -0.00992 -0.03840 -0.06089
|
|
58 3S 0.49657 0.12401 -0.11299 -0.88212 0.15087
|
|
59 4S -2.15421 -0.99635 -0.14571 3.18293 -2.94447
|
|
60 5S -1.55824 -0.25227 -0.41687 0.41558 -2.58337
|
|
61 6PX -0.17949 0.27048 0.03515 -0.05586 -0.09234
|
|
62 6PY -0.14282 0.00830 0.08970 -0.11960 -0.15960
|
|
63 6PZ 0.09709 -0.35971 -0.10577 -0.01105 -0.00088
|
|
64 7PX 0.44639 -0.68177 0.05664 0.12008 -0.02773
|
|
65 7PY 0.36053 -0.00913 -0.29551 0.19305 0.36688
|
|
66 7PZ -0.33694 0.73076 0.09138 -0.03540 -0.17391
|
|
67 8PX -0.40754 1.05751 -0.14946 0.17672 -0.57934
|
|
68 8PY -0.60181 0.74236 2.10757 -1.83522 0.25413
|
|
69 8PZ -0.97708 -1.23888 -0.75930 1.41959 0.17180
|
|
70 9PX -0.25509 0.42841 -0.03220 0.21185 -0.19425
|
|
71 9PY -0.36767 0.13319 0.03882 -0.48821 -0.32008
|
|
72 9PZ 0.09550 -0.31888 -0.04232 -0.01865 -0.23498
|
|
73 10D 0 -0.00038 0.01230 0.12304 -0.04956 -0.02118
|
|
74 10D+1 0.02939 -0.00340 0.08015 -0.10023 0.14124
|
|
75 10D-1 0.02272 0.00177 0.03738 -0.14058 -0.14539
|
|
76 10D+2 0.01078 0.03214 -0.04146 -0.02324 0.03390
|
|
77 10D-2 -0.04672 0.05922 -0.10620 0.00425 -0.07344
|
|
78 11D 0 0.38307 -0.29094 -0.20970 -0.19708 -0.01251
|
|
79 11D+1 -0.07482 0.14830 -0.10970 0.02158 0.54735
|
|
80 11D-1 0.14567 0.33688 0.39380 -0.10520 0.07263
|
|
81 11D+2 -0.10223 0.28893 0.22936 0.06458 -0.06260
|
|
82 11D-2 -0.05533 -0.21240 -0.26236 -0.28563 0.23557
|
|
83 12D 0 0.91781 -0.81314 -0.00269 -0.03053 0.15060
|
|
84 12D+1 -0.11928 0.07166 0.00466 0.00569 0.71934
|
|
85 12D-1 -0.33280 0.75589 0.36869 -0.62176 -0.26001
|
|
86 12D+2 -0.25782 0.67936 -0.13030 0.19888 0.17908
|
|
87 12D-2 0.16923 -0.32597 -0.14977 -0.35166 0.24104
|
|
88 13F 0 -0.15650 0.00946 -0.20167 0.08718 0.00205
|
|
89 13F+1 -0.06124 0.13176 0.05327 0.06701 0.04396
|
|
90 13F-1 0.17982 -0.18329 0.00545 0.02152 0.00082
|
|
91 13F+2 0.05886 -0.01210 -0.21478 -0.02607 0.00947
|
|
92 13F-2 -0.02171 0.01668 0.12304 -0.06798 0.31302
|
|
93 13F+3 0.10431 -0.08244 0.02724 -0.12139 -0.06434
|
|
94 13F-3 -0.14744 0.06216 0.09896 0.22514 -0.01377
|
|
95 14F 0 0.55806 -0.15467 0.45092 -0.19756 -0.19895
|
|
96 14F+1 0.59403 -0.42061 -0.30993 -0.46990 0.03738
|
|
97 14F-1 -0.24808 0.59531 0.56768 -0.10038 0.18430
|
|
98 14F+2 -0.35746 0.35838 0.87958 0.18449 0.08882
|
|
99 14F-2 -0.02903 -0.12107 -0.26409 0.53087 -0.70852
|
|
100 14F+3 -0.25743 0.13663 -0.21375 0.09207 0.04245
|
|
101 14F-3 0.41289 -0.31414 -0.55228 -0.61581 0.55855
|
|
102 15G 0 -0.14146 0.04054 0.07565 -0.00529 0.04305
|
|
103 15G+1 0.01119 0.07620 -0.11129 0.08699 -0.13241
|
|
104 15G-1 0.04047 0.12688 0.14601 -0.14208 0.27896
|
|
105 15G+2 -0.01353 0.09990 0.07585 -0.07823 -0.14025
|
|
106 15G-2 -0.11814 -0.04218 -0.01182 0.33954 -0.13022
|
|
107 15G+3 -0.06568 -0.03549 -0.15486 0.02815 -0.16889
|
|
108 15G-3 0.01632 -0.02064 -0.14703 -0.05719 -0.03845
|
|
109 15G+4 -0.12029 0.04782 0.03540 -0.10115 -0.12981
|
|
110 15G-4 0.02164 -0.05693 -0.11744 -0.22298 0.18781
|
|
111 3 H 1S 0.07054 -0.32826 0.14469 0.31591 0.03057
|
|
112 2S 0.36428 1.71819 -0.66944 -1.39935 -0.49568
|
|
113 3S -1.19843 0.85367 -1.23000 -0.87431 -1.15671
|
|
114 4S -0.03249 0.05760 -0.03340 -0.06683 -0.05140
|
|
115 5PX 0.46548 0.25446 -0.30281 0.25597 0.30166
|
|
116 5PY -0.00270 -0.30920 0.74168 0.28911 -0.14545
|
|
117 5PZ -0.35106 -0.01417 -0.31526 -0.07202 -0.08430
|
|
118 6PX -0.86694 -0.69417 0.70091 -0.43806 -0.46147
|
|
119 6PY 0.09963 0.38946 -1.38177 -0.27418 0.33396
|
|
120 6PZ 0.64649 -0.62686 1.02059 0.81807 0.62872
|
|
121 7PX 0.29917 0.03658 0.35210 0.24935 -0.03680
|
|
122 7PY 0.35661 0.17236 0.07563 -0.16917 0.11012
|
|
123 7PZ 0.77111 -0.14888 0.57622 0.61581 0.48424
|
|
124 8D 0 0.25381 0.08474 -0.21234 0.05154 -0.05590
|
|
125 8D+1 0.19212 0.20788 0.18012 0.22839 0.17777
|
|
126 8D-1 0.19699 0.27296 0.08598 0.07138 -0.03010
|
|
127 8D+2 0.09778 0.08724 -0.02151 0.01905 0.09670
|
|
128 8D-2 0.09332 -0.14865 0.06803 0.12707 -0.21928
|
|
129 9D 0 -0.66734 0.11117 -0.46217 -0.51737 -0.41056
|
|
130 9D+1 0.07312 0.08623 -0.69567 0.05724 0.07997
|
|
131 9D-1 -0.40811 -0.56631 0.53018 0.02853 -0.22589
|
|
132 9D+2 -0.00114 0.09598 -0.30864 -0.21201 -0.05667
|
|
133 9D-2 0.05685 0.14792 -0.08148 -0.06724 0.10231
|
|
134 10F 0 0.23599 -0.15049 0.22884 0.19753 0.17979
|
|
135 10F+1 -0.07690 -0.10322 0.27845 -0.14693 -0.10603
|
|
136 10F-1 0.09692 0.15135 -0.19854 0.04154 0.25530
|
|
137 10F+2 0.01040 -0.09819 0.19938 0.09638 -0.00766
|
|
138 10F-2 -0.10641 -0.03392 0.05139 0.06506 0.06455
|
|
139 10F+3 0.04644 0.04037 0.00952 -0.06870 0.01865
|
|
140 10F-3 0.01160 -0.01728 0.04886 0.14211 0.07742
|
|
141 4 H 1S 0.08015 0.13308 0.02490 0.15455 0.14164
|
|
142 2S -0.89994 -1.14800 0.06865 -1.23262 -0.96948
|
|
143 3S -0.31282 -0.13315 0.03836 -0.38838 -1.68748
|
|
144 4S -0.01152 -0.01381 -0.01085 -0.04111 -0.09779
|
|
145 5PX -0.20738 -0.24511 -0.08732 -0.08676 0.20344
|
|
146 5PY 0.00595 0.03306 -0.16051 0.28753 0.23107
|
|
147 5PZ 0.61651 0.35071 -0.16393 0.42969 -0.44597
|
|
148 6PX 0.04659 0.04877 0.25783 -0.55581 -1.05652
|
|
149 6PY 0.06100 0.02371 0.32830 -0.48999 -0.32621
|
|
150 6PZ -1.30316 -0.73359 0.46570 -0.95491 0.69863
|
|
151 7PX 0.21625 0.33942 0.04022 -0.20129 -0.79861
|
|
152 7PY 0.01549 -0.03058 0.01600 -0.45397 0.09482
|
|
153 7PZ -0.07587 0.08118 0.08770 -0.12327 0.04778
|
|
154 8D 0 0.00731 0.05271 0.02083 0.25882 0.02215
|
|
155 8D+1 -0.10750 -0.15416 0.06076 0.04949 0.12747
|
|
156 8D-1 -0.08613 -0.25976 -0.01874 0.24574 0.01403
|
|
157 8D+2 -0.14133 -0.24376 0.14873 0.12625 -0.07092
|
|
158 8D-2 0.14866 0.27938 0.08088 0.01676 0.03314
|
|
159 9D 0 -0.22118 -0.23280 0.05251 -0.28148 0.30700
|
|
160 9D+1 -0.47252 -0.11006 0.31546 -0.52373 0.22744
|
|
161 9D-1 0.37470 0.33179 0.05031 -0.11429 -0.02924
|
|
162 9D+2 0.34185 0.42928 0.08879 -0.48653 -0.61825
|
|
163 9D-2 -0.20385 -0.38372 0.05424 -0.45804 -0.06066
|
|
164 10F 0 0.19218 0.10111 0.03042 0.08627 -0.11778
|
|
165 10F+1 -0.08103 -0.12289 0.07193 -0.04155 0.20319
|
|
166 10F-1 0.09449 0.10342 0.03835 0.09020 0.04516
|
|
167 10F+2 -0.07586 -0.06322 0.25751 -0.20255 0.06611
|
|
168 10F-2 0.20002 0.12501 0.06071 0.04176 0.04725
|
|
169 10F+3 0.12512 0.02820 0.12580 -0.20343 -0.31293
|
|
170 10F-3 -0.11146 -0.12308 0.02575 -0.08108 0.12810
|
|
171 5 H 1S -0.07054 -0.32826 -0.14469 0.31591 -0.03057
|
|
172 2S -0.36428 1.71819 0.66944 -1.39935 0.49568
|
|
173 3S 1.19843 0.85367 1.23000 -0.87431 1.15671
|
|
174 4S 0.03249 0.05760 0.03340 -0.06683 0.05140
|
|
175 5PX 0.46548 -0.25446 -0.30281 -0.25597 0.30166
|
|
176 5PY -0.00270 0.30920 0.74168 -0.28911 -0.14545
|
|
177 5PZ 0.35106 -0.01417 0.31526 -0.07202 0.08430
|
|
178 6PX -0.86694 0.69417 0.70091 0.43806 -0.46147
|
|
179 6PY 0.09963 -0.38946 -1.38177 0.27418 0.33396
|
|
180 6PZ -0.64649 -0.62686 -1.02059 0.81807 -0.62872
|
|
181 7PX 0.29917 -0.03658 0.35210 -0.24935 -0.03680
|
|
182 7PY 0.35661 -0.17236 0.07563 0.16917 0.11012
|
|
183 7PZ -0.77111 -0.14888 -0.57622 0.61581 -0.48424
|
|
184 8D 0 -0.25381 0.08474 0.21234 0.05154 0.05590
|
|
185 8D+1 0.19212 -0.20788 0.18012 -0.22839 0.17777
|
|
186 8D-1 0.19699 -0.27296 0.08598 -0.07138 -0.03010
|
|
187 8D+2 -0.09778 0.08724 0.02151 0.01905 -0.09670
|
|
188 8D-2 -0.09332 -0.14865 -0.06803 0.12707 0.21928
|
|
189 9D 0 0.66734 0.11117 0.46217 -0.51737 0.41056
|
|
190 9D+1 0.07312 -0.08623 -0.69567 -0.05724 0.07997
|
|
191 9D-1 -0.40811 0.56631 0.53018 -0.02853 -0.22589
|
|
192 9D+2 0.00114 0.09598 0.30864 -0.21201 0.05667
|
|
193 9D-2 -0.05685 0.14792 0.08148 -0.06724 -0.10231
|
|
194 10F 0 -0.23599 -0.15049 -0.22884 0.19753 -0.17979
|
|
195 10F+1 -0.07690 0.10322 0.27845 0.14693 -0.10603
|
|
196 10F-1 0.09692 -0.15135 -0.19854 -0.04154 0.25530
|
|
197 10F+2 -0.01040 -0.09819 -0.19938 0.09638 0.00766
|
|
198 10F-2 0.10641 -0.03392 -0.05139 0.06506 -0.06455
|
|
199 10F+3 0.04644 -0.04037 0.00952 0.06870 0.01865
|
|
200 10F-3 0.01160 0.01728 0.04886 -0.14211 0.07742
|
|
201 6 H 1S -0.08015 0.13308 -0.02490 0.15455 -0.14164
|
|
202 2S 0.89994 -1.14800 -0.06865 -1.23262 0.96948
|
|
203 3S 0.31282 -0.13315 -0.03836 -0.38838 1.68748
|
|
204 4S 0.01152 -0.01381 0.01085 -0.04111 0.09779
|
|
205 5PX -0.20738 0.24511 -0.08732 0.08676 0.20344
|
|
206 5PY 0.00595 -0.03306 -0.16051 -0.28753 0.23107
|
|
207 5PZ -0.61651 0.35071 0.16393 0.42969 0.44597
|
|
208 6PX 0.04659 -0.04877 0.25783 0.55581 -1.05652
|
|
209 6PY 0.06100 -0.02371 0.32830 0.48999 -0.32621
|
|
210 6PZ 1.30316 -0.73359 -0.46570 -0.95491 -0.69863
|
|
211 7PX 0.21625 -0.33942 0.04022 0.20129 -0.79861
|
|
212 7PY 0.01549 0.03058 0.01600 0.45397 0.09482
|
|
213 7PZ 0.07587 0.08118 -0.08770 -0.12327 -0.04778
|
|
214 8D 0 -0.00731 0.05271 -0.02083 0.25882 -0.02215
|
|
215 8D+1 -0.10750 0.15416 0.06076 -0.04949 0.12747
|
|
216 8D-1 -0.08613 0.25976 -0.01874 -0.24574 0.01403
|
|
217 8D+2 0.14133 -0.24376 -0.14873 0.12625 0.07092
|
|
218 8D-2 -0.14866 0.27938 -0.08088 0.01676 -0.03314
|
|
219 9D 0 0.22118 -0.23280 -0.05251 -0.28148 -0.30700
|
|
220 9D+1 -0.47252 0.11006 0.31546 0.52373 0.22744
|
|
221 9D-1 0.37470 -0.33179 0.05031 0.11429 -0.02924
|
|
222 9D+2 -0.34185 0.42928 -0.08879 -0.48653 0.61825
|
|
223 9D-2 0.20385 -0.38372 -0.05424 -0.45804 0.06066
|
|
224 10F 0 -0.19218 0.10111 -0.03042 0.08627 0.11778
|
|
225 10F+1 -0.08103 0.12289 0.07193 0.04155 0.20319
|
|
226 10F-1 0.09449 -0.10342 0.03835 -0.09020 0.04516
|
|
227 10F+2 0.07586 -0.06322 -0.25751 -0.20255 -0.06611
|
|
228 10F-2 -0.20002 0.12501 -0.06071 0.04176 -0.04725
|
|
229 10F+3 0.12512 -0.02820 0.12580 0.20343 -0.31293
|
|
230 10F-3 -0.11146 0.12308 0.02575 0.08108 0.12810
|
|
181 182 183 184 185
|
|
V V V V V
|
|
Eigenvalues -- 8.90958 8.91732 8.98129 9.01395 9.14343
|
|
1 1 N 1S -0.01089 -0.00360 -0.00086 -0.01169 -0.01864
|
|
2 2S 0.02879 0.00377 -0.00268 0.03388 0.04613
|
|
3 3S 0.54742 -0.26506 0.28832 -0.15745 0.18556
|
|
4 4S -1.31332 1.08535 -2.06880 2.43122 0.73457
|
|
5 5S -1.58169 -0.03646 -2.12870 1.46487 0.15654
|
|
6 6PX -0.35026 0.18295 0.09123 -0.26588 0.23616
|
|
7 6PY 0.32900 0.11722 -0.22411 -0.10410 -0.00209
|
|
8 6PZ -0.06237 -0.17457 -0.41914 0.21818 0.00040
|
|
9 7PX 0.61983 -0.12959 0.02075 0.53825 -0.76018
|
|
10 7PY -0.80492 -0.14838 0.47873 0.23576 0.07672
|
|
11 7PZ 0.14807 0.43792 0.87197 -0.06161 -0.13421
|
|
12 8PX -1.63202 -0.51792 -0.59708 -1.38881 1.17007
|
|
13 8PY 3.22838 -0.07290 -2.44627 0.74406 -0.06886
|
|
14 8PZ -1.67897 -0.43373 -2.85029 -0.38272 0.41455
|
|
15 9PX -0.30448 -0.24408 0.03810 -0.38456 0.20258
|
|
16 9PY 0.72006 0.21013 -0.39904 -0.02671 -0.09030
|
|
17 9PZ -0.59936 -0.12679 -0.89479 0.03859 0.15859
|
|
18 10D 0 -0.04168 0.00696 -0.06179 -0.08325 0.10163
|
|
19 10D+1 -0.09270 0.06378 0.03471 0.02478 0.13879
|
|
20 10D-1 0.08179 -0.06728 0.02902 -0.10182 -0.20983
|
|
21 10D+2 -0.04239 0.05962 0.08113 -0.00467 -0.05039
|
|
22 10D-2 -0.06000 0.04829 0.07392 0.08750 0.02231
|
|
23 11D 0 -0.18284 0.07114 -0.17763 0.00011 -0.03521
|
|
24 11D+1 0.22255 0.15680 -0.29508 0.56086 0.33774
|
|
25 11D-1 -0.26539 0.40963 -0.26506 0.14247 -0.09177
|
|
26 11D+2 0.26223 0.17608 -0.12510 0.09099 0.28032
|
|
27 11D-2 -0.24545 0.33632 -0.13016 -0.10441 -0.09124
|
|
28 12D 0 -0.46833 -0.17456 -1.23557 -0.34379 0.53864
|
|
29 12D+1 0.28973 0.38536 -0.31875 0.55105 0.77276
|
|
30 12D-1 -0.37987 0.29916 -0.62355 -0.29656 -0.44233
|
|
31 12D+2 1.15512 0.52164 -0.18865 0.32642 -0.16706
|
|
32 12D-2 -0.93689 0.23208 -0.44436 0.10002 0.07419
|
|
33 13F 0 0.13498 -0.16938 -0.09692 0.04581 -0.16146
|
|
34 13F+1 0.05880 -0.09617 -0.21102 0.27909 -0.24807
|
|
35 13F-1 0.08500 0.02201 -0.00693 0.27338 0.13475
|
|
36 13F+2 -0.02702 0.21006 0.22543 -0.00034 0.08835
|
|
37 13F-2 -0.04582 0.06800 0.10763 -0.15260 -0.02929
|
|
38 13F+3 -0.12467 0.20501 0.00397 0.08635 -0.20962
|
|
39 13F-3 0.11083 -0.02024 -0.09594 -0.09562 0.03671
|
|
40 14F 0 -0.23784 0.22286 0.14337 0.10623 0.38495
|
|
41 14F+1 0.01890 -0.02327 -0.08554 -0.06585 0.64128
|
|
42 14F-1 -0.54345 0.33765 -0.25395 -0.24515 -0.32103
|
|
43 14F+2 -0.01598 -0.57139 0.06648 -0.33235 0.18677
|
|
44 14F-2 0.14377 0.07876 -0.17984 0.39944 0.41055
|
|
45 14F+3 0.20756 -0.77932 -0.04856 0.01092 0.35291
|
|
46 14F-3 0.14031 -0.23039 0.26482 0.15631 0.18371
|
|
47 15G 0 -0.04513 -0.05527 -0.03143 0.17840 0.19252
|
|
48 15G+1 -0.18892 -0.12087 -0.21453 -0.15994 0.12841
|
|
49 15G-1 -0.21484 0.23594 -0.19939 -0.01782 -0.03815
|
|
50 15G+2 -0.09546 -0.05594 0.18618 -0.10878 0.15350
|
|
51 15G-2 0.05062 0.03428 0.03357 -0.06179 0.16791
|
|
52 15G+3 0.03151 0.22769 0.13093 0.11998 0.08073
|
|
53 15G-3 -0.03838 -0.12752 -0.04764 -0.06378 -0.05544
|
|
54 15G+4 -0.23540 0.13888 0.03393 -0.03752 -0.13243
|
|
55 15G-4 -0.09018 0.04914 -0.05172 -0.10774 -0.13140
|
|
56 2 N 1S 0.01089 -0.00360 0.00086 -0.01169 -0.01864
|
|
57 2S -0.02879 0.00377 0.00268 0.03388 0.04613
|
|
58 3S -0.54742 -0.26506 -0.28832 -0.15745 0.18556
|
|
59 4S 1.31332 1.08535 2.06880 2.43122 0.73457
|
|
60 5S 1.58169 -0.03646 2.12870 1.46487 0.15654
|
|
61 6PX -0.35026 -0.18295 0.09123 0.26588 -0.23616
|
|
62 6PY 0.32900 -0.11722 -0.22411 0.10410 0.00209
|
|
63 6PZ 0.06237 -0.17457 0.41914 0.21818 0.00040
|
|
64 7PX 0.61983 0.12959 0.02075 -0.53825 0.76018
|
|
65 7PY -0.80492 0.14838 0.47873 -0.23576 -0.07672
|
|
66 7PZ -0.14807 0.43792 -0.87197 -0.06161 -0.13421
|
|
67 8PX -1.63202 0.51792 -0.59708 1.38881 -1.17007
|
|
68 8PY 3.22838 0.07290 -2.44627 -0.74406 0.06886
|
|
69 8PZ 1.67897 -0.43373 2.85029 -0.38272 0.41455
|
|
70 9PX -0.30448 0.24408 0.03810 0.38456 -0.20258
|
|
71 9PY 0.72006 -0.21013 -0.39904 0.02671 0.09030
|
|
72 9PZ 0.59936 -0.12679 0.89479 0.03859 0.15859
|
|
73 10D 0 0.04168 0.00696 0.06179 -0.08325 0.10163
|
|
74 10D+1 -0.09270 -0.06378 0.03471 -0.02478 -0.13879
|
|
75 10D-1 0.08179 0.06728 0.02902 0.10182 0.20983
|
|
76 10D+2 0.04239 0.05962 -0.08113 -0.00467 -0.05039
|
|
77 10D-2 0.06000 0.04829 -0.07392 0.08750 0.02231
|
|
78 11D 0 0.18284 0.07114 0.17763 0.00011 -0.03521
|
|
79 11D+1 0.22255 -0.15680 -0.29508 -0.56086 -0.33774
|
|
80 11D-1 -0.26539 -0.40963 -0.26506 -0.14247 0.09177
|
|
81 11D+2 -0.26223 0.17608 0.12510 0.09099 0.28032
|
|
82 11D-2 0.24545 0.33632 0.13016 -0.10441 -0.09124
|
|
83 12D 0 0.46833 -0.17456 1.23557 -0.34379 0.53864
|
|
84 12D+1 0.28973 -0.38536 -0.31875 -0.55105 -0.77276
|
|
85 12D-1 -0.37987 -0.29916 -0.62355 0.29656 0.44233
|
|
86 12D+2 -1.15512 0.52164 0.18865 0.32642 -0.16706
|
|
87 12D-2 0.93689 0.23208 0.44436 0.10002 0.07419
|
|
88 13F 0 -0.13498 -0.16938 0.09692 0.04581 -0.16146
|
|
89 13F+1 0.05880 0.09617 -0.21102 -0.27909 0.24807
|
|
90 13F-1 0.08500 -0.02201 -0.00693 -0.27338 -0.13475
|
|
91 13F+2 0.02702 0.21006 -0.22543 -0.00034 0.08835
|
|
92 13F-2 0.04582 0.06800 -0.10763 -0.15260 -0.02929
|
|
93 13F+3 -0.12467 -0.20501 0.00397 -0.08635 0.20962
|
|
94 13F-3 0.11083 0.02024 -0.09594 0.09562 -0.03671
|
|
95 14F 0 0.23784 0.22286 -0.14337 0.10623 0.38495
|
|
96 14F+1 0.01890 0.02327 -0.08554 0.06585 -0.64128
|
|
97 14F-1 -0.54345 -0.33765 -0.25395 0.24515 0.32103
|
|
98 14F+2 0.01598 -0.57139 -0.06648 -0.33235 0.18677
|
|
99 14F-2 -0.14377 0.07876 0.17984 0.39944 0.41055
|
|
100 14F+3 0.20756 0.77932 -0.04856 -0.01092 -0.35291
|
|
101 14F-3 0.14031 0.23039 0.26482 -0.15631 -0.18371
|
|
102 15G 0 0.04513 -0.05527 0.03143 0.17840 0.19252
|
|
103 15G+1 -0.18892 0.12087 -0.21453 0.15994 -0.12841
|
|
104 15G-1 -0.21484 -0.23594 -0.19939 0.01782 0.03815
|
|
105 15G+2 0.09546 -0.05594 -0.18618 -0.10878 0.15350
|
|
106 15G-2 -0.05062 0.03428 -0.03357 -0.06179 0.16791
|
|
107 15G+3 0.03151 -0.22769 0.13093 -0.11998 -0.08073
|
|
108 15G-3 -0.03838 0.12752 -0.04764 0.06378 0.05544
|
|
109 15G+4 0.23540 0.13888 -0.03393 -0.03752 -0.13243
|
|
110 15G-4 0.09018 0.04914 0.05172 -0.10774 -0.13140
|
|
111 3 H 1S -0.16627 -0.00730 -0.54961 0.04502 0.11723
|
|
112 2S 1.13215 -0.45134 2.12206 0.24982 -0.76861
|
|
113 3S 1.12535 -0.07800 3.27181 -1.55688 -0.24894
|
|
114 4S 0.06423 -0.00254 0.25043 -0.05098 0.03879
|
|
115 5PX 0.14523 0.05971 -0.13118 0.20409 0.47326
|
|
116 5PY 0.17692 0.29401 0.01092 0.13599 -0.47572
|
|
117 5PZ -0.14180 -0.09842 0.15751 -0.39518 0.03441
|
|
118 6PX -0.39530 0.12466 -0.03700 -0.21258 -0.98217
|
|
119 6PY -0.56901 -0.43923 -0.25789 -0.12210 1.13194
|
|
120 6PZ -0.26148 0.50778 -1.14756 0.68192 0.14630
|
|
121 7PX -0.26171 0.16879 -0.24974 0.13392 -0.42639
|
|
122 7PY 0.01966 -0.26181 -0.31184 0.38261 0.28454
|
|
123 7PZ -0.28679 0.21390 -1.11027 0.78652 -0.16963
|
|
124 8D 0 -0.09271 -0.01005 -0.07689 0.13986 -0.04964
|
|
125 8D+1 -0.07974 0.06294 0.26331 -0.00029 0.07255
|
|
126 8D-1 0.22802 -0.08520 -0.01237 0.05075 -0.25082
|
|
127 8D+2 -0.13239 0.17942 -0.16007 0.08078 -0.04650
|
|
128 8D-2 -0.33717 -0.00164 -0.17555 -0.07053 -0.02158
|
|
129 9D 0 0.02545 -0.39398 0.41747 -0.60681 0.17459
|
|
130 9D+1 0.29297 -0.33521 -0.18518 -0.06506 0.60087
|
|
131 9D-1 -0.00745 0.23018 0.02142 -0.17772 -0.24027
|
|
132 9D+2 0.09335 -0.36560 0.09181 0.01657 0.56900
|
|
133 9D-2 0.41520 -0.01646 0.05300 0.00046 0.07965
|
|
134 10F 0 0.01974 0.17488 -0.10479 0.26221 0.00611
|
|
135 10F+1 -0.15372 0.13550 0.01378 -0.00935 -0.19894
|
|
136 10F-1 -0.03722 0.09530 0.02496 0.06227 0.04645
|
|
137 10F+2 -0.04913 0.17747 0.05805 -0.03775 -0.23882
|
|
138 10F-2 -0.11744 0.02697 0.11961 -0.08247 -0.03846
|
|
139 10F+3 -0.00848 0.08886 -0.02198 -0.02195 -0.15464
|
|
140 10F-3 -0.08916 0.07896 0.06110 -0.10428 -0.10910
|
|
141 4 H 1S 0.46446 0.05000 0.06116 0.24437 -0.14335
|
|
142 2S -1.64716 -0.88902 -0.66620 -1.27444 0.18172
|
|
143 3S -1.53493 0.04833 1.17112 -1.56913 -0.33594
|
|
144 4S -0.13891 -0.00633 0.08487 -0.08319 -0.02190
|
|
145 5PX 0.15325 -0.28507 -0.20193 0.13533 0.11475
|
|
146 5PY 0.40769 -0.70020 0.00869 -0.01331 0.19895
|
|
147 5PZ 0.02987 -0.20245 0.04186 -0.43395 -0.20967
|
|
148 6PX -0.84199 0.12057 0.19459 -0.88007 -0.47214
|
|
149 6PY -0.71352 1.45194 0.01921 0.17415 -0.45909
|
|
150 6PZ -0.15097 0.47549 0.03429 0.64917 0.30353
|
|
151 7PX -0.73960 0.24275 0.47988 -0.49359 -0.42606
|
|
152 7PY -0.20922 0.14879 -0.40145 0.27185 0.00482
|
|
153 7PZ 0.09790 0.26238 0.20141 0.14843 -0.07935
|
|
154 8D 0 0.03148 0.01183 0.00798 0.10406 0.15180
|
|
155 8D+1 -0.21154 0.09617 0.08406 -0.18006 0.14831
|
|
156 8D-1 -0.03270 0.03331 -0.13033 -0.11184 -0.08029
|
|
157 8D+2 0.03650 -0.16474 0.00386 0.00702 0.00339
|
|
158 8D-2 -0.01066 0.04014 0.24323 0.03297 -0.07047
|
|
159 9D 0 0.08061 0.10672 -0.08637 0.30947 0.18617
|
|
160 9D+1 0.14558 0.35419 0.05526 0.51083 -0.26100
|
|
161 9D-1 -0.20404 0.03105 -0.00046 -0.01878 0.06202
|
|
162 9D+2 -0.45475 0.57502 0.12357 -0.22336 -0.50945
|
|
163 9D-2 -0.41270 0.66064 -0.31260 0.05141 -0.03425
|
|
164 10F 0 -0.01068 -0.00896 -0.00340 -0.03983 0.10560
|
|
165 10F+1 0.06397 0.04785 -0.06669 0.28526 0.14146
|
|
166 10F-1 -0.05103 -0.09991 0.07195 -0.08883 -0.04673
|
|
167 10F+2 -0.07362 0.15275 -0.10090 0.15831 -0.09529
|
|
168 10F-2 -0.14371 0.09876 0.01545 -0.11569 0.02591
|
|
169 10F+3 -0.10550 0.31665 0.00338 -0.04963 -0.18346
|
|
170 10F-3 -0.09792 0.23939 -0.00317 0.00100 0.14548
|
|
171 5 H 1S 0.16627 -0.00730 0.54961 0.04502 0.11723
|
|
172 2S -1.13215 -0.45134 -2.12206 0.24982 -0.76861
|
|
173 3S -1.12535 -0.07800 -3.27181 -1.55688 -0.24894
|
|
174 4S -0.06423 -0.00254 -0.25043 -0.05098 0.03879
|
|
175 5PX 0.14523 -0.05971 -0.13118 -0.20409 -0.47326
|
|
176 5PY 0.17692 -0.29401 0.01092 -0.13599 0.47572
|
|
177 5PZ 0.14180 -0.09842 -0.15751 -0.39518 0.03441
|
|
178 6PX -0.39530 -0.12466 -0.03700 0.21258 0.98217
|
|
179 6PY -0.56901 0.43923 -0.25789 0.12210 -1.13194
|
|
180 6PZ 0.26148 0.50778 1.14756 0.68192 0.14630
|
|
181 7PX -0.26171 -0.16879 -0.24974 -0.13392 0.42639
|
|
182 7PY 0.01966 0.26181 -0.31184 -0.38261 -0.28454
|
|
183 7PZ 0.28679 0.21390 1.11027 0.78652 -0.16963
|
|
184 8D 0 0.09271 -0.01005 0.07689 0.13986 -0.04964
|
|
185 8D+1 -0.07974 -0.06294 0.26331 0.00029 -0.07255
|
|
186 8D-1 0.22802 0.08520 -0.01237 -0.05075 0.25082
|
|
187 8D+2 0.13239 0.17942 0.16007 0.08078 -0.04650
|
|
188 8D-2 0.33717 -0.00164 0.17555 -0.07053 -0.02158
|
|
189 9D 0 -0.02545 -0.39398 -0.41747 -0.60681 0.17459
|
|
190 9D+1 0.29297 0.33521 -0.18518 0.06506 -0.60087
|
|
191 9D-1 -0.00745 -0.23018 0.02142 0.17772 0.24027
|
|
192 9D+2 -0.09335 -0.36560 -0.09181 0.01657 0.56900
|
|
193 9D-2 -0.41520 -0.01646 -0.05300 0.00046 0.07965
|
|
194 10F 0 -0.01974 0.17488 0.10479 0.26221 0.00611
|
|
195 10F+1 -0.15372 -0.13550 0.01378 0.00935 0.19894
|
|
196 10F-1 -0.03722 -0.09530 0.02496 -0.06227 -0.04645
|
|
197 10F+2 0.04913 0.17747 -0.05805 -0.03775 -0.23882
|
|
198 10F-2 0.11744 0.02697 -0.11961 -0.08247 -0.03846
|
|
199 10F+3 -0.00848 -0.08886 -0.02198 0.02195 0.15464
|
|
200 10F-3 -0.08916 -0.07896 0.06110 0.10428 0.10910
|
|
201 6 H 1S -0.46446 0.05000 -0.06116 0.24437 -0.14335
|
|
202 2S 1.64716 -0.88902 0.66620 -1.27444 0.18172
|
|
203 3S 1.53493 0.04833 -1.17112 -1.56913 -0.33594
|
|
204 4S 0.13891 -0.00633 -0.08487 -0.08319 -0.02190
|
|
205 5PX 0.15325 0.28507 -0.20193 -0.13533 -0.11475
|
|
206 5PY 0.40769 0.70020 0.00869 0.01331 -0.19895
|
|
207 5PZ -0.02987 -0.20245 -0.04186 -0.43395 -0.20967
|
|
208 6PX -0.84199 -0.12057 0.19459 0.88007 0.47214
|
|
209 6PY -0.71352 -1.45194 0.01921 -0.17415 0.45909
|
|
210 6PZ 0.15097 0.47549 -0.03429 0.64917 0.30353
|
|
211 7PX -0.73960 -0.24275 0.47988 0.49359 0.42606
|
|
212 7PY -0.20922 -0.14879 -0.40145 -0.27185 -0.00482
|
|
213 7PZ -0.09790 0.26238 -0.20141 0.14843 -0.07935
|
|
214 8D 0 -0.03148 0.01183 -0.00798 0.10406 0.15180
|
|
215 8D+1 -0.21154 -0.09617 0.08406 0.18006 -0.14831
|
|
216 8D-1 -0.03270 -0.03331 -0.13033 0.11184 0.08029
|
|
217 8D+2 -0.03650 -0.16474 -0.00386 0.00702 0.00339
|
|
218 8D-2 0.01066 0.04014 -0.24323 0.03297 -0.07047
|
|
219 9D 0 -0.08061 0.10672 0.08637 0.30947 0.18617
|
|
220 9D+1 0.14558 -0.35419 0.05526 -0.51083 0.26100
|
|
221 9D-1 -0.20404 -0.03105 -0.00046 0.01878 -0.06202
|
|
222 9D+2 0.45475 0.57502 -0.12357 -0.22336 -0.50945
|
|
223 9D-2 0.41270 0.66064 0.31260 0.05141 -0.03425
|
|
224 10F 0 0.01068 -0.00896 0.00340 -0.03983 0.10560
|
|
225 10F+1 0.06397 -0.04785 -0.06669 -0.28526 -0.14146
|
|
226 10F-1 -0.05103 0.09991 0.07195 0.08883 0.04673
|
|
227 10F+2 0.07362 0.15275 0.10090 0.15831 -0.09529
|
|
228 10F-2 0.14371 0.09876 -0.01545 -0.11569 0.02591
|
|
229 10F+3 -0.10550 -0.31665 0.00338 0.04963 0.18346
|
|
230 10F-3 -0.09792 -0.23939 -0.00317 -0.00100 -0.14548
|
|
186 187 188 189 190
|
|
V V V V V
|
|
Eigenvalues -- 9.18035 9.22071 9.25799 9.31339 9.35603
|
|
1 1 N 1S -0.01318 -0.00363 -0.01707 -0.01298 0.01313
|
|
2 2S 0.00087 0.01082 0.03285 0.01230 -0.04556
|
|
3 3S -0.13346 -0.19511 0.35943 -0.04337 -1.38744
|
|
4 4S 0.56174 1.51134 -0.74972 0.86085 5.06943
|
|
5 5S 1.70989 0.68315 -0.73694 -0.00509 2.69782
|
|
6 6PX 0.03051 -0.21167 0.20420 0.22410 0.01519
|
|
7 6PY -0.24375 -0.03620 -0.06921 0.38203 0.22779
|
|
8 6PZ 0.06338 -0.02323 0.10456 -0.00374 -0.10484
|
|
9 7PX -0.09947 0.30878 -0.33661 -0.36776 0.01388
|
|
10 7PY 0.34342 0.11217 0.14726 -0.79863 -0.29826
|
|
11 7PZ -0.17560 0.13159 0.00795 -0.00278 0.06053
|
|
12 8PX -0.19352 -0.57627 2.15054 -0.35840 -1.36720
|
|
13 8PY 0.22745 0.20260 -0.13129 1.81352 0.72110
|
|
14 8PZ -0.26593 0.39920 0.46868 1.08160 1.52449
|
|
15 9PX -0.01524 -0.12293 0.47528 -0.03633 -0.37519
|
|
16 9PY -0.50422 -0.09056 0.07640 0.64302 0.01110
|
|
17 9PZ 0.08351 0.12818 0.07336 0.50805 0.37066
|
|
18 10D 0 0.14346 -0.02266 -0.19614 0.02782 -0.01952
|
|
19 10D+1 -0.10336 0.17684 -0.04317 0.00292 -0.02517
|
|
20 10D-1 0.06349 -0.10271 0.16113 0.03162 -0.01862
|
|
21 10D+2 -0.00587 -0.09872 0.07202 -0.10714 -0.03251
|
|
22 10D-2 -0.25229 0.14203 -0.02456 -0.28507 0.05076
|
|
23 11D 0 -0.45320 0.11326 0.39233 0.04105 0.11614
|
|
24 11D+1 -0.09475 0.19064 0.16490 -0.20254 0.32435
|
|
25 11D-1 0.11681 0.04603 -0.00802 0.06031 0.13655
|
|
26 11D+2 -0.44017 0.30305 -0.28326 0.26287 0.12271
|
|
27 11D-2 -0.11069 -0.05349 -0.01104 0.14688 -0.05928
|
|
28 12D 0 -0.37620 -0.06404 0.25191 0.64966 0.08057
|
|
29 12D+1 -0.33266 0.25770 0.24400 -0.07691 0.34458
|
|
30 12D-1 0.52573 0.04105 0.03600 0.26119 0.40918
|
|
31 12D+2 -0.94381 0.13216 -0.31359 0.35642 0.25177
|
|
32 12D-2 -0.46133 0.63831 -0.22268 -0.26766 -0.10668
|
|
33 13F 0 -0.00943 0.15585 0.12486 -0.02150 -0.00915
|
|
34 13F+1 0.04599 0.03463 -0.14751 0.12062 -0.30350
|
|
35 13F-1 -0.09254 -0.18711 0.22232 0.17229 -0.21667
|
|
36 13F+2 0.06860 -0.06795 0.24103 0.07629 0.14501
|
|
37 13F-2 0.08442 -0.23744 0.01522 -0.05051 0.45944
|
|
38 13F+3 -0.09105 -0.05446 0.23330 0.01186 -0.05155
|
|
39 13F-3 -0.19171 0.07463 0.06747 -0.18328 -0.03390
|
|
40 14F 0 -0.26248 -0.13275 -0.14150 0.17301 0.22280
|
|
41 14F+1 -0.26024 0.21954 0.03794 -0.10082 0.46457
|
|
42 14F-1 0.35440 0.27699 -0.06144 -0.10867 0.56012
|
|
43 14F+2 -0.13910 0.04624 -0.24405 0.11620 -0.34718
|
|
44 14F-2 0.01182 0.60071 0.09255 0.19191 -0.02682
|
|
45 14F+3 0.25518 -0.12577 -0.43338 -0.05456 -0.29188
|
|
46 14F-3 0.55901 -0.01147 -0.13592 0.43628 0.22847
|
|
47 15G 0 0.04769 -0.20693 -0.15269 -0.02952 0.23488
|
|
48 15G+1 0.12782 0.25158 0.21351 -0.20557 0.05255
|
|
49 15G-1 0.04959 0.06328 -0.10288 0.10804 0.17544
|
|
50 15G+2 0.10046 -0.07579 -0.10839 0.10007 -0.19910
|
|
51 15G-2 -0.08865 -0.12390 0.01362 0.10805 0.03455
|
|
52 15G+3 -0.02202 -0.27839 0.05893 -0.23520 -0.18725
|
|
53 15G-3 -0.16627 -0.24922 -0.03645 -0.15197 0.01348
|
|
54 15G+4 0.12174 0.15315 0.20256 -0.11791 0.21727
|
|
55 15G-4 -0.13967 -0.12988 -0.00449 -0.14437 -0.09909
|
|
56 2 N 1S 0.01318 -0.00363 -0.01707 0.01298 -0.01313
|
|
57 2S -0.00087 0.01082 0.03285 -0.01230 0.04556
|
|
58 3S 0.13346 -0.19511 0.35943 0.04337 1.38744
|
|
59 4S -0.56174 1.51134 -0.74972 -0.86085 -5.06943
|
|
60 5S -1.70989 0.68315 -0.73694 0.00509 -2.69782
|
|
61 6PX 0.03051 0.21167 -0.20420 0.22410 0.01519
|
|
62 6PY -0.24375 0.03620 0.06921 0.38203 0.22779
|
|
63 6PZ -0.06338 -0.02323 0.10456 0.00374 0.10484
|
|
64 7PX -0.09947 -0.30878 0.33661 -0.36776 0.01388
|
|
65 7PY 0.34342 -0.11217 -0.14726 -0.79863 -0.29826
|
|
66 7PZ 0.17560 0.13159 0.00795 0.00278 -0.06053
|
|
67 8PX -0.19352 0.57627 -2.15054 -0.35840 -1.36720
|
|
68 8PY 0.22745 -0.20260 0.13129 1.81352 0.72110
|
|
69 8PZ 0.26593 0.39920 0.46868 -1.08160 -1.52449
|
|
70 9PX -0.01524 0.12293 -0.47528 -0.03633 -0.37519
|
|
71 9PY -0.50422 0.09056 -0.07640 0.64302 0.01110
|
|
72 9PZ -0.08351 0.12818 0.07336 -0.50805 -0.37066
|
|
73 10D 0 -0.14346 -0.02266 -0.19614 -0.02782 0.01952
|
|
74 10D+1 -0.10336 -0.17684 0.04317 0.00292 -0.02517
|
|
75 10D-1 0.06349 0.10271 -0.16113 0.03162 -0.01862
|
|
76 10D+2 0.00587 -0.09872 0.07202 0.10714 0.03251
|
|
77 10D-2 0.25229 0.14203 -0.02456 0.28507 -0.05076
|
|
78 11D 0 0.45320 0.11326 0.39233 -0.04105 -0.11614
|
|
79 11D+1 -0.09475 -0.19064 -0.16490 -0.20254 0.32435
|
|
80 11D-1 0.11681 -0.04603 0.00802 0.06031 0.13655
|
|
81 11D+2 0.44017 0.30305 -0.28326 -0.26287 -0.12271
|
|
82 11D-2 0.11069 -0.05349 -0.01104 -0.14688 0.05928
|
|
83 12D 0 0.37620 -0.06404 0.25191 -0.64966 -0.08057
|
|
84 12D+1 -0.33266 -0.25770 -0.24400 -0.07691 0.34458
|
|
85 12D-1 0.52573 -0.04105 -0.03600 0.26119 0.40918
|
|
86 12D+2 0.94381 0.13216 -0.31359 -0.35642 -0.25177
|
|
87 12D-2 0.46133 0.63831 -0.22268 0.26766 0.10668
|
|
88 13F 0 0.00943 0.15585 0.12486 0.02150 0.00915
|
|
89 13F+1 0.04599 -0.03463 0.14751 0.12062 -0.30350
|
|
90 13F-1 -0.09254 0.18711 -0.22232 0.17229 -0.21667
|
|
91 13F+2 -0.06860 -0.06795 0.24103 -0.07629 -0.14501
|
|
92 13F-2 -0.08442 -0.23744 0.01522 0.05051 -0.45944
|
|
93 13F+3 -0.09105 0.05446 -0.23330 0.01186 -0.05155
|
|
94 13F-3 -0.19171 -0.07463 -0.06747 -0.18328 -0.03390
|
|
95 14F 0 0.26248 -0.13275 -0.14150 -0.17301 -0.22280
|
|
96 14F+1 -0.26024 -0.21954 -0.03794 -0.10082 0.46457
|
|
97 14F-1 0.35440 -0.27699 0.06144 -0.10867 0.56012
|
|
98 14F+2 0.13910 0.04624 -0.24405 -0.11620 0.34718
|
|
99 14F-2 -0.01182 0.60071 0.09255 -0.19191 0.02682
|
|
100 14F+3 0.25518 0.12577 0.43338 -0.05456 -0.29188
|
|
101 14F-3 0.55901 0.01147 0.13592 0.43628 0.22847
|
|
102 15G 0 -0.04769 -0.20693 -0.15269 0.02952 -0.23488
|
|
103 15G+1 0.12782 -0.25158 -0.21351 -0.20557 0.05255
|
|
104 15G-1 0.04959 -0.06328 0.10288 0.10804 0.17544
|
|
105 15G+2 -0.10046 -0.07579 -0.10839 -0.10007 0.19910
|
|
106 15G-2 0.08865 -0.12390 0.01362 -0.10805 -0.03455
|
|
107 15G+3 -0.02202 0.27839 -0.05893 -0.23520 -0.18725
|
|
108 15G-3 -0.16627 0.24922 0.03645 -0.15197 0.01348
|
|
109 15G+4 -0.12174 0.15315 0.20256 0.11791 -0.21727
|
|
110 15G-4 0.13967 -0.12988 -0.00449 0.14437 0.09909
|
|
111 3 H 1S -0.06401 0.01564 0.21222 0.19551 0.25064
|
|
112 2S 0.07190 -0.46361 -0.44632 -0.65134 -1.56551
|
|
113 3S -0.02138 -0.85136 -0.73461 -1.48642 -2.20192
|
|
114 4S 0.05679 -0.06681 -0.01898 -0.15078 -0.07991
|
|
115 5PX -0.16475 0.24055 -0.02381 -0.22121 0.01379
|
|
116 5PY 0.55302 -0.06565 -0.15541 -0.16248 -0.05057
|
|
117 5PZ -0.08699 -0.01111 -0.16511 0.02419 -0.11802
|
|
118 6PX 0.36701 -0.44398 -0.07839 0.39719 0.29106
|
|
119 6PY -0.96611 0.04084 0.20098 0.31346 0.35148
|
|
120 6PZ 0.11815 0.49118 0.51800 0.24478 1.03781
|
|
121 7PX 0.05438 -0.04081 0.04507 0.26576 0.28125
|
|
122 7PY -0.44336 0.24221 0.09538 0.17413 0.30803
|
|
123 7PZ 0.01993 0.39598 0.41136 0.47238 0.72860
|
|
124 8D 0 0.15800 -0.11380 -0.13066 -0.07174 -0.05389
|
|
125 8D+1 -0.13382 -0.01475 0.07786 0.07347 -0.00042
|
|
126 8D-1 -0.17666 0.15487 0.15016 0.06472 0.10166
|
|
127 8D+2 0.02854 0.12384 0.02965 -0.05733 0.01119
|
|
128 8D-2 -0.12342 0.20984 0.12744 -0.07714 -0.14630
|
|
129 9D 0 -0.32402 -0.24810 -0.17434 0.04964 -0.21261
|
|
130 9D+1 -0.09850 0.19911 -0.14535 -0.16267 -0.19693
|
|
131 9D-1 0.64840 -0.25890 -0.21554 -0.12751 -0.24884
|
|
132 9D+2 -0.30254 0.07781 0.14633 -0.08545 0.06249
|
|
133 9D-2 0.25515 -0.11715 -0.01255 -0.21275 0.00337
|
|
134 10F 0 0.19629 0.05398 0.00575 -0.08522 0.04947
|
|
135 10F+1 0.14057 -0.04158 0.17380 -0.06040 -0.04445
|
|
136 10F-1 -0.18264 0.12158 0.02693 0.00951 -0.00332
|
|
137 10F+2 0.17219 -0.26909 -0.08206 0.08489 -0.08831
|
|
138 10F-2 -0.11432 0.01897 0.02530 0.23614 0.10241
|
|
139 10F+3 0.09976 0.01425 0.02480 -0.06701 -0.03155
|
|
140 10F-3 0.03333 -0.06097 -0.08795 0.13908 -0.05117
|
|
141 4 H 1S -0.02787 0.14531 -0.34855 -0.02502 0.26202
|
|
142 2S 0.06768 -0.47033 0.69517 -0.38541 -1.32684
|
|
143 3S -0.32027 -0.65328 1.99676 -0.40504 -2.13322
|
|
144 4S 0.01084 0.00786 0.09070 -0.06731 -0.13509
|
|
145 5PX 0.16941 0.08831 -0.18675 -0.13954 0.17541
|
|
146 5PY 0.51420 -0.21788 0.27785 -0.00568 -0.09857
|
|
147 5PZ 0.08112 -0.00762 -0.31093 0.20545 -0.06756
|
|
148 6PX -0.39415 -0.39056 0.65912 -0.20173 -0.90806
|
|
149 6PY -0.95536 0.43973 -0.30157 -0.23567 0.50562
|
|
150 6PZ -0.14498 0.00790 0.52557 -0.32898 -0.20311
|
|
151 7PX -0.19662 -0.17310 0.70998 -0.15523 -0.70091
|
|
152 7PY -0.25413 0.24422 -0.39591 0.05722 0.34524
|
|
153 7PZ -0.19583 -0.09627 0.39960 -0.21751 -0.22148
|
|
154 8D 0 -0.18163 -0.00105 -0.16607 0.04830 -0.07287
|
|
155 8D+1 0.03816 0.23879 -0.14595 0.08228 -0.01169
|
|
156 8D-1 0.02521 0.16280 0.17730 -0.04995 0.22574
|
|
157 8D+2 -0.11414 -0.12228 -0.01241 -0.32606 0.02568
|
|
158 8D-2 -0.01468 0.01378 0.31141 -0.31693 -0.02778
|
|
159 9D 0 0.01091 -0.00035 0.01842 -0.16184 0.19685
|
|
160 9D+1 -0.15670 -0.08499 0.44727 -0.26924 -0.09329
|
|
161 9D-1 -0.12193 0.21952 -0.21952 0.17914 -0.00591
|
|
162 9D+2 -0.37815 -0.04392 0.06280 0.06481 -0.14346
|
|
163 9D-2 -0.38459 0.16913 -0.33768 0.18259 0.30534
|
|
164 10F 0 0.01322 -0.03049 -0.07214 0.06304 -0.04603
|
|
165 10F+1 -0.09164 -0.06509 0.01152 -0.10046 0.06462
|
|
166 10F-1 0.10223 0.08858 0.03421 0.08104 -0.02218
|
|
167 10F+2 -0.03131 0.22413 0.11965 -0.05202 0.15240
|
|
168 10F-2 -0.02592 0.23352 -0.07948 0.25100 0.12489
|
|
169 10F+3 -0.30334 -0.11162 -0.22001 0.05256 -0.03054
|
|
170 10F-3 -0.08111 0.08366 0.00941 0.08827 0.02798
|
|
171 5 H 1S 0.06401 0.01564 0.21222 -0.19551 -0.25064
|
|
172 2S -0.07190 -0.46361 -0.44632 0.65134 1.56551
|
|
173 3S 0.02138 -0.85136 -0.73461 1.48642 2.20192
|
|
174 4S -0.05679 -0.06681 -0.01898 0.15078 0.07991
|
|
175 5PX -0.16475 -0.24055 0.02381 -0.22121 0.01379
|
|
176 5PY 0.55302 0.06565 0.15541 -0.16248 -0.05057
|
|
177 5PZ 0.08699 -0.01111 -0.16511 -0.02419 0.11802
|
|
178 6PX 0.36701 0.44398 0.07839 0.39719 0.29106
|
|
179 6PY -0.96611 -0.04084 -0.20098 0.31346 0.35148
|
|
180 6PZ -0.11815 0.49118 0.51800 -0.24478 -1.03781
|
|
181 7PX 0.05438 0.04081 -0.04507 0.26576 0.28125
|
|
182 7PY -0.44336 -0.24221 -0.09538 0.17413 0.30803
|
|
183 7PZ -0.01993 0.39598 0.41136 -0.47238 -0.72860
|
|
184 8D 0 -0.15800 -0.11380 -0.13066 0.07174 0.05389
|
|
185 8D+1 -0.13382 0.01475 -0.07786 0.07347 -0.00042
|
|
186 8D-1 -0.17666 -0.15487 -0.15016 0.06472 0.10166
|
|
187 8D+2 -0.02854 0.12384 0.02965 0.05733 -0.01119
|
|
188 8D-2 0.12342 0.20984 0.12744 0.07714 0.14630
|
|
189 9D 0 0.32402 -0.24810 -0.17434 -0.04964 0.21261
|
|
190 9D+1 -0.09850 -0.19911 0.14535 -0.16267 -0.19693
|
|
191 9D-1 0.64840 0.25890 0.21554 -0.12751 -0.24884
|
|
192 9D+2 0.30254 0.07781 0.14633 0.08545 -0.06249
|
|
193 9D-2 -0.25515 -0.11715 -0.01255 0.21275 -0.00337
|
|
194 10F 0 -0.19629 0.05398 0.00575 0.08522 -0.04947
|
|
195 10F+1 0.14057 0.04158 -0.17380 -0.06040 -0.04445
|
|
196 10F-1 -0.18264 -0.12158 -0.02693 0.00951 -0.00332
|
|
197 10F+2 -0.17219 -0.26909 -0.08206 -0.08489 0.08831
|
|
198 10F-2 0.11432 0.01897 0.02530 -0.23614 -0.10241
|
|
199 10F+3 0.09976 -0.01425 -0.02480 -0.06701 -0.03155
|
|
200 10F-3 0.03333 0.06097 0.08795 0.13908 -0.05117
|
|
201 6 H 1S 0.02787 0.14531 -0.34855 0.02502 -0.26202
|
|
202 2S -0.06768 -0.47033 0.69517 0.38541 1.32684
|
|
203 3S 0.32027 -0.65328 1.99676 0.40504 2.13322
|
|
204 4S -0.01084 0.00786 0.09070 0.06731 0.13509
|
|
205 5PX 0.16941 -0.08831 0.18675 -0.13954 0.17541
|
|
206 5PY 0.51420 0.21788 -0.27785 -0.00568 -0.09857
|
|
207 5PZ -0.08112 -0.00762 -0.31093 -0.20545 0.06756
|
|
208 6PX -0.39415 0.39056 -0.65912 -0.20173 -0.90806
|
|
209 6PY -0.95536 -0.43973 0.30157 -0.23567 0.50562
|
|
210 6PZ 0.14498 0.00790 0.52557 0.32898 0.20311
|
|
211 7PX -0.19662 0.17310 -0.70998 -0.15523 -0.70091
|
|
212 7PY -0.25413 -0.24422 0.39591 0.05722 0.34524
|
|
213 7PZ 0.19583 -0.09627 0.39960 0.21751 0.22148
|
|
214 8D 0 0.18163 -0.00105 -0.16607 -0.04830 0.07287
|
|
215 8D+1 0.03816 -0.23879 0.14595 0.08228 -0.01169
|
|
216 8D-1 0.02521 -0.16280 -0.17730 -0.04995 0.22574
|
|
217 8D+2 0.11414 -0.12228 -0.01241 0.32606 -0.02568
|
|
218 8D-2 0.01468 0.01378 0.31141 0.31693 0.02778
|
|
219 9D 0 -0.01091 -0.00035 0.01842 0.16184 -0.19685
|
|
220 9D+1 -0.15670 0.08499 -0.44727 -0.26924 -0.09329
|
|
221 9D-1 -0.12193 -0.21952 0.21952 0.17914 -0.00591
|
|
222 9D+2 0.37815 -0.04392 0.06280 -0.06481 0.14346
|
|
223 9D-2 0.38459 0.16913 -0.33768 -0.18259 -0.30534
|
|
224 10F 0 -0.01322 -0.03049 -0.07214 -0.06304 0.04603
|
|
225 10F+1 -0.09164 0.06509 -0.01152 -0.10046 0.06462
|
|
226 10F-1 0.10223 -0.08858 -0.03421 0.08104 -0.02218
|
|
227 10F+2 0.03131 0.22413 0.11965 0.05202 -0.15240
|
|
228 10F-2 0.02592 0.23352 -0.07948 -0.25100 -0.12489
|
|
229 10F+3 -0.30334 0.11162 0.22001 0.05256 -0.03054
|
|
230 10F-3 -0.08111 -0.08366 -0.00941 0.08827 0.02798
|
|
191 192 193 194 195
|
|
V V V V V
|
|
Eigenvalues -- 9.56008 9.57908 9.61415 9.65348 9.65430
|
|
1 1 N 1S 0.01276 0.01434 0.00825 -0.00885 -0.00196
|
|
2 2S -0.01697 -0.04333 -0.03151 0.01376 0.02239
|
|
3 3S -0.33697 -0.61562 -0.30873 -0.14271 0.32524
|
|
4 4S 1.11860 0.84002 0.02289 1.23149 -0.39499
|
|
5 5S 0.60624 1.14061 -0.80537 1.56817 0.51867
|
|
6 6PX 0.11201 0.07039 0.06747 0.05078 0.32276
|
|
7 6PY 0.23646 -0.09367 0.26935 0.13382 0.11050
|
|
8 6PZ 0.07957 0.26352 -0.03180 -0.33345 0.02366
|
|
9 7PX -0.07935 0.05296 -0.13344 0.05068 -0.84050
|
|
10 7PY -0.42646 0.10105 -0.59147 -0.21379 -0.07833
|
|
11 7PZ -0.17186 -0.55853 -0.20908 0.81817 -0.08209
|
|
12 8PX -0.79592 0.28019 0.27068 -0.24558 1.40984
|
|
13 8PY 0.35703 -0.10355 0.47606 0.32554 -0.61836
|
|
14 8PZ 0.36133 1.53418 -0.09136 -0.60272 0.38890
|
|
15 9PX -0.27595 0.36533 0.07496 -0.14887 0.18069
|
|
16 9PY 0.14551 -0.31729 0.37083 -0.03898 -0.09184
|
|
17 9PZ 0.11474 0.60594 -0.14968 0.02534 0.21160
|
|
18 10D 0 0.01314 0.07616 0.33769 -0.13599 0.02322
|
|
19 10D+1 -0.16755 0.04751 -0.13292 -0.11657 0.10251
|
|
20 10D-1 -0.06444 -0.16529 -0.10093 0.15932 -0.19810
|
|
21 10D+2 0.19048 0.16013 0.27242 0.17698 -0.19441
|
|
22 10D-2 0.21660 -0.03039 -0.01519 0.06650 -0.11446
|
|
23 11D 0 0.07281 0.01979 -0.57688 0.23928 0.12862
|
|
24 11D+1 0.10483 -0.00517 0.02743 0.09546 -0.09543
|
|
25 11D-1 -0.03366 0.17667 -0.06852 -0.01911 0.04451
|
|
26 11D+2 -0.02999 -0.38964 -0.31085 -0.30302 0.33476
|
|
27 11D-2 -0.18484 0.03555 -0.15778 -0.04263 0.19255
|
|
28 12D 0 0.20494 0.34081 0.25471 -0.38854 0.25471
|
|
29 12D+1 -0.05464 -0.10785 -0.01299 -0.06580 -0.31517
|
|
30 12D-1 -0.07181 -0.32631 0.16204 1.04711 -0.15420
|
|
31 12D+2 0.20965 -0.52946 0.40967 0.00800 -0.22897
|
|
32 12D-2 -0.16888 -0.36138 -0.46672 -0.37458 -0.97104
|
|
33 13F 0 0.05928 0.08735 -0.13591 -0.11001 0.05403
|
|
34 13F+1 0.02224 0.10196 0.07110 0.13903 0.32466
|
|
35 13F-1 0.06004 -0.00527 -0.03125 -0.28227 -0.02309
|
|
36 13F+2 0.19936 0.07924 -0.13111 -0.56650 -0.29795
|
|
37 13F-2 0.31086 0.15958 0.10069 -0.08984 -0.08448
|
|
38 13F+3 -0.12421 0.15969 0.26706 0.19958 0.47946
|
|
39 13F-3 -0.32150 -0.37498 0.03411 -0.24582 -0.17040
|
|
40 14F 0 0.10441 0.03253 -0.01906 0.31246 0.01420
|
|
41 14F+1 -0.05990 -0.14272 0.29887 -0.03311 -0.48568
|
|
42 14F-1 -0.13157 -0.02651 -0.11472 0.29485 -0.01702
|
|
43 14F+2 -0.13739 -0.45109 0.17958 0.70559 0.27315
|
|
44 14F-2 -0.50867 -0.10852 -0.19574 0.13005 -0.05145
|
|
45 14F+3 0.25388 0.03435 -0.12525 -0.14958 -0.89230
|
|
46 14F-3 0.25463 0.53555 -0.04908 0.43300 0.00624
|
|
47 15G 0 0.06358 0.18512 0.05555 0.06619 -0.00988
|
|
48 15G+1 -0.08844 -0.26765 0.26829 0.09538 -0.06487
|
|
49 15G-1 -0.05062 0.00954 -0.02484 -0.07283 -0.15490
|
|
50 15G+2 -0.03115 -0.09751 -0.11490 -0.00451 0.10103
|
|
51 15G-2 -0.18287 0.18530 -0.22983 0.13405 0.12173
|
|
52 15G+3 -0.33930 0.13051 0.18128 -0.12460 -0.07084
|
|
53 15G-3 0.00625 0.34289 -0.12626 -0.13303 0.04329
|
|
54 15G+4 -0.04795 -0.12434 0.08050 0.06429 0.04598
|
|
55 15G-4 -0.36759 -0.00408 -0.04976 -0.06309 0.05686
|
|
56 2 N 1S 0.01276 -0.01434 0.00825 0.00885 -0.00196
|
|
57 2S -0.01697 0.04333 -0.03151 -0.01376 0.02239
|
|
58 3S -0.33697 0.61562 -0.30873 0.14271 0.32524
|
|
59 4S 1.11860 -0.84002 0.02289 -1.23149 -0.39499
|
|
60 5S 0.60624 -1.14061 -0.80537 -1.56817 0.51867
|
|
61 6PX -0.11201 0.07039 -0.06747 0.05078 -0.32276
|
|
62 6PY -0.23646 -0.09367 -0.26935 0.13382 -0.11050
|
|
63 6PZ 0.07957 -0.26352 -0.03180 0.33345 0.02366
|
|
64 7PX 0.07935 0.05296 0.13344 0.05068 0.84050
|
|
65 7PY 0.42646 0.10105 0.59147 -0.21379 0.07833
|
|
66 7PZ -0.17186 0.55853 -0.20908 -0.81817 -0.08209
|
|
67 8PX 0.79592 0.28019 -0.27068 -0.24558 -1.40984
|
|
68 8PY -0.35703 -0.10355 -0.47606 0.32554 0.61836
|
|
69 8PZ 0.36133 -1.53418 -0.09136 0.60272 0.38890
|
|
70 9PX 0.27595 0.36533 -0.07496 -0.14887 -0.18069
|
|
71 9PY -0.14551 -0.31729 -0.37083 -0.03898 0.09184
|
|
72 9PZ 0.11474 -0.60594 -0.14968 -0.02534 0.21160
|
|
73 10D 0 0.01314 -0.07616 0.33769 0.13599 0.02322
|
|
74 10D+1 0.16755 0.04751 0.13292 -0.11657 -0.10251
|
|
75 10D-1 0.06444 -0.16529 0.10093 0.15932 0.19810
|
|
76 10D+2 0.19048 -0.16013 0.27242 -0.17698 -0.19441
|
|
77 10D-2 0.21660 0.03039 -0.01519 -0.06650 -0.11446
|
|
78 11D 0 0.07281 -0.01979 -0.57688 -0.23928 0.12862
|
|
79 11D+1 -0.10483 -0.00517 -0.02743 0.09546 0.09543
|
|
80 11D-1 0.03366 0.17667 0.06852 -0.01911 -0.04451
|
|
81 11D+2 -0.02999 0.38964 -0.31085 0.30302 0.33476
|
|
82 11D-2 -0.18484 -0.03555 -0.15778 0.04263 0.19255
|
|
83 12D 0 0.20494 -0.34081 0.25471 0.38854 0.25471
|
|
84 12D+1 0.05464 -0.10785 0.01299 -0.06580 0.31517
|
|
85 12D-1 0.07181 -0.32631 -0.16204 1.04711 0.15420
|
|
86 12D+2 0.20965 0.52946 0.40967 -0.00800 -0.22897
|
|
87 12D-2 -0.16888 0.36138 -0.46672 0.37458 -0.97104
|
|
88 13F 0 0.05928 -0.08735 -0.13591 0.11001 0.05403
|
|
89 13F+1 -0.02224 0.10196 -0.07110 0.13903 -0.32466
|
|
90 13F-1 -0.06004 -0.00527 0.03125 -0.28227 0.02309
|
|
91 13F+2 0.19936 -0.07924 -0.13111 0.56650 -0.29795
|
|
92 13F-2 0.31086 -0.15958 0.10069 0.08984 -0.08448
|
|
93 13F+3 0.12421 0.15969 -0.26706 0.19958 -0.47946
|
|
94 13F-3 0.32150 -0.37498 -0.03411 -0.24582 0.17040
|
|
95 14F 0 0.10441 -0.03253 -0.01906 -0.31246 0.01420
|
|
96 14F+1 0.05990 -0.14272 -0.29887 -0.03311 0.48568
|
|
97 14F-1 0.13157 -0.02651 0.11472 0.29485 0.01702
|
|
98 14F+2 -0.13739 0.45109 0.17958 -0.70559 0.27315
|
|
99 14F-2 -0.50867 0.10852 -0.19574 -0.13005 -0.05145
|
|
100 14F+3 -0.25388 0.03435 0.12525 -0.14958 0.89230
|
|
101 14F-3 -0.25463 0.53555 0.04908 0.43300 -0.00624
|
|
102 15G 0 0.06358 -0.18512 0.05555 -0.06619 -0.00988
|
|
103 15G+1 0.08844 -0.26765 -0.26829 0.09538 0.06487
|
|
104 15G-1 0.05062 0.00954 0.02484 -0.07283 0.15490
|
|
105 15G+2 -0.03115 0.09751 -0.11490 0.00451 0.10103
|
|
106 15G-2 -0.18287 -0.18530 -0.22983 -0.13405 0.12173
|
|
107 15G+3 0.33930 0.13051 -0.18128 -0.12460 0.07084
|
|
108 15G-3 -0.00625 0.34289 0.12626 -0.13303 -0.04329
|
|
109 15G+4 -0.04795 0.12434 0.08050 -0.06429 0.04598
|
|
110 15G-4 -0.36759 0.00408 -0.04976 0.06309 0.05686
|
|
111 3 H 1S 0.14857 0.21815 0.00361 -0.08295 0.06891
|
|
112 2S -0.11466 -0.56900 -0.28630 0.08856 0.13434
|
|
113 3S -0.56755 -1.34354 1.27997 -1.44102 -0.48041
|
|
114 4S -0.02135 -0.11657 0.06504 -0.05029 -0.01123
|
|
115 5PX -0.16190 -0.23673 0.23679 -0.15142 -0.14655
|
|
116 5PY -0.25559 -0.04098 0.09588 0.09830 -0.30002
|
|
117 5PZ -0.05026 -0.11995 0.12702 -0.09786 -0.00456
|
|
118 6PX 0.43932 0.55319 -0.35492 0.17737 0.17366
|
|
119 6PY 0.40284 0.17672 -0.06848 -0.03796 0.43553
|
|
120 6PZ -0.01334 0.38091 -0.35300 0.35400 -0.07804
|
|
121 7PX 0.17252 0.25063 -0.23835 0.29586 0.10887
|
|
122 7PY 0.16844 0.20192 -0.42738 0.13019 0.27871
|
|
123 7PZ 0.07685 0.32275 -0.57750 0.66272 -0.04959
|
|
124 8D 0 0.00869 0.04414 0.15174 -0.04639 -0.09940
|
|
125 8D+1 -0.02136 0.11815 -0.24292 0.12485 0.13687
|
|
126 8D-1 0.11551 -0.02285 -0.15972 0.04770 0.05528
|
|
127 8D+2 0.00599 0.02880 0.16658 0.04310 0.01080
|
|
128 8D-2 -0.11025 -0.15977 0.07707 -0.03516 -0.07567
|
|
129 9D 0 0.23108 -0.02616 0.14197 -0.19632 0.26483
|
|
130 9D+1 -0.19461 -0.29200 0.40748 -0.27678 -0.06902
|
|
131 9D-1 -0.20240 0.06067 0.34136 -0.25962 -0.21170
|
|
132 9D+2 0.06228 -0.11285 -0.05306 -0.10462 0.09810
|
|
133 9D-2 -0.03419 -0.07360 0.27448 -0.06950 -0.12842
|
|
134 10F 0 -0.15411 0.00202 -0.04751 0.03036 -0.14049
|
|
135 10F+1 -0.02389 -0.08243 0.01469 0.14549 -0.06714
|
|
136 10F-1 -0.06170 -0.08643 -0.08686 0.05948 -0.02856
|
|
137 10F+2 -0.11097 0.12685 -0.10985 -0.00213 -0.09416
|
|
138 10F-2 0.08833 0.09328 -0.28139 0.13183 0.14954
|
|
139 10F+3 0.01610 -0.08698 0.09730 -0.00734 -0.02627
|
|
140 10F-3 -0.06701 0.00181 -0.12003 -0.03418 0.04056
|
|
141 4 H 1S 0.13642 -0.17530 0.05159 0.01858 -0.28938
|
|
142 2S -0.52321 -0.07919 -0.28748 -0.44329 0.90906
|
|
143 3S -0.64301 1.17289 0.11845 -0.23023 -0.40559
|
|
144 4S -0.04001 0.15769 -0.00577 -0.05687 -0.04958
|
|
145 5PX 0.04527 -0.15751 0.00637 -0.07762 -0.06909
|
|
146 5PY -0.12486 0.27107 0.26657 0.10876 -0.03301
|
|
147 5PZ -0.03564 -0.19635 0.18888 -0.09612 -0.00913
|
|
148 6PX -0.33367 0.15841 -0.03609 -0.03989 0.34676
|
|
149 6PY 0.07859 -0.53974 -0.29119 -0.25690 0.10525
|
|
150 6PZ -0.10704 0.22959 -0.45167 -0.03850 0.02384
|
|
151 7PX -0.20111 0.45218 -0.06314 0.03035 -0.28328
|
|
152 7PY -0.11013 -0.40870 -0.34131 -0.19922 0.20785
|
|
153 7PZ -0.06967 0.08392 -0.12544 -0.03658 -0.23431
|
|
154 8D 0 -0.02633 0.12816 0.06976 -0.00052 -0.09405
|
|
155 8D+1 -0.08292 -0.17193 0.01609 -0.13249 0.09797
|
|
156 8D-1 0.09249 -0.14565 0.12638 0.08094 -0.09961
|
|
157 8D+2 0.06898 0.07013 0.13721 0.02278 -0.06667
|
|
158 8D-2 -0.05368 0.03369 0.12929 0.02181 -0.03351
|
|
159 9D 0 -0.05932 -0.12300 -0.21226 -0.11503 0.01131
|
|
160 9D+1 0.01370 0.21066 -0.31102 0.14497 -0.11843
|
|
161 9D-1 -0.13512 -0.18903 -0.10309 -0.03175 0.19833
|
|
162 9D+2 -0.17772 -0.01940 -0.21814 -0.10960 0.05869
|
|
163 9D-2 0.04018 -0.32455 -0.32445 -0.21929 0.44112
|
|
164 10F 0 -0.10732 -0.06057 0.09154 -0.04375 -0.03895
|
|
165 10F+1 -0.05688 0.15053 -0.09596 0.00914 0.03059
|
|
166 10F-1 -0.01491 -0.11351 0.00734 0.06843 -0.05578
|
|
167 10F+2 0.03716 -0.05784 -0.09119 0.05014 -0.01535
|
|
168 10F-2 0.04496 -0.25266 -0.02341 0.04588 0.06895
|
|
169 10F+3 0.05326 0.05837 -0.13508 -0.02578 0.05438
|
|
170 10F-3 0.12927 -0.09885 -0.11267 0.01887 0.22225
|
|
171 5 H 1S 0.14857 -0.21815 0.00361 0.08295 0.06891
|
|
172 2S -0.11466 0.56900 -0.28630 -0.08856 0.13434
|
|
173 3S -0.56755 1.34354 1.27997 1.44102 -0.48041
|
|
174 4S -0.02135 0.11657 0.06504 0.05029 -0.01123
|
|
175 5PX 0.16190 -0.23673 -0.23679 -0.15142 0.14655
|
|
176 5PY 0.25559 -0.04098 -0.09588 0.09830 0.30002
|
|
177 5PZ -0.05026 0.11995 0.12702 0.09786 -0.00456
|
|
178 6PX -0.43932 0.55319 0.35492 0.17737 -0.17366
|
|
179 6PY -0.40284 0.17672 0.06848 -0.03796 -0.43553
|
|
180 6PZ -0.01334 -0.38091 -0.35300 -0.35400 -0.07804
|
|
181 7PX -0.17252 0.25063 0.23835 0.29586 -0.10887
|
|
182 7PY -0.16844 0.20192 0.42738 0.13019 -0.27871
|
|
183 7PZ 0.07685 -0.32275 -0.57750 -0.66272 -0.04959
|
|
184 8D 0 0.00869 -0.04414 0.15174 0.04639 -0.09940
|
|
185 8D+1 0.02136 0.11815 0.24292 0.12485 -0.13687
|
|
186 8D-1 -0.11551 -0.02285 0.15972 0.04770 -0.05528
|
|
187 8D+2 0.00599 -0.02880 0.16658 -0.04310 0.01080
|
|
188 8D-2 -0.11025 0.15977 0.07707 0.03516 -0.07567
|
|
189 9D 0 0.23108 0.02616 0.14197 0.19632 0.26483
|
|
190 9D+1 0.19461 -0.29200 -0.40748 -0.27678 0.06902
|
|
191 9D-1 0.20240 0.06067 -0.34136 -0.25962 0.21170
|
|
192 9D+2 0.06228 0.11285 -0.05306 0.10462 0.09810
|
|
193 9D-2 -0.03419 0.07360 0.27448 0.06950 -0.12842
|
|
194 10F 0 -0.15411 -0.00202 -0.04751 -0.03036 -0.14049
|
|
195 10F+1 0.02389 -0.08243 -0.01469 0.14549 0.06714
|
|
196 10F-1 0.06170 -0.08643 0.08686 0.05948 0.02856
|
|
197 10F+2 -0.11097 -0.12685 -0.10985 0.00213 -0.09416
|
|
198 10F-2 0.08833 -0.09328 -0.28139 -0.13183 0.14954
|
|
199 10F+3 -0.01610 -0.08698 -0.09730 -0.00734 0.02627
|
|
200 10F-3 0.06701 0.00181 0.12003 -0.03418 -0.04056
|
|
201 6 H 1S 0.13642 0.17530 0.05159 -0.01858 -0.28938
|
|
202 2S -0.52321 0.07919 -0.28748 0.44329 0.90906
|
|
203 3S -0.64301 -1.17289 0.11845 0.23023 -0.40559
|
|
204 4S -0.04001 -0.15769 -0.00577 0.05687 -0.04958
|
|
205 5PX -0.04527 -0.15751 -0.00637 -0.07762 0.06909
|
|
206 5PY 0.12486 0.27107 -0.26657 0.10876 0.03301
|
|
207 5PZ -0.03564 0.19635 0.18888 0.09612 -0.00913
|
|
208 6PX 0.33367 0.15841 0.03609 -0.03989 -0.34676
|
|
209 6PY -0.07859 -0.53974 0.29119 -0.25690 -0.10525
|
|
210 6PZ -0.10704 -0.22959 -0.45167 0.03850 0.02384
|
|
211 7PX 0.20111 0.45218 0.06314 0.03035 0.28328
|
|
212 7PY 0.11013 -0.40870 0.34131 -0.19922 -0.20785
|
|
213 7PZ -0.06967 -0.08392 -0.12544 0.03658 -0.23431
|
|
214 8D 0 -0.02633 -0.12816 0.06976 0.00052 -0.09405
|
|
215 8D+1 0.08292 -0.17193 -0.01609 -0.13249 -0.09797
|
|
216 8D-1 -0.09249 -0.14565 -0.12638 0.08094 0.09961
|
|
217 8D+2 0.06898 -0.07013 0.13721 -0.02278 -0.06667
|
|
218 8D-2 -0.05368 -0.03369 0.12929 -0.02181 -0.03351
|
|
219 9D 0 -0.05932 0.12300 -0.21226 0.11503 0.01131
|
|
220 9D+1 -0.01370 0.21066 0.31102 0.14497 0.11843
|
|
221 9D-1 0.13512 -0.18903 0.10309 -0.03175 -0.19833
|
|
222 9D+2 -0.17772 0.01940 -0.21814 0.10960 0.05869
|
|
223 9D-2 0.04018 0.32455 -0.32445 0.21929 0.44112
|
|
224 10F 0 -0.10732 0.06057 0.09154 0.04375 -0.03895
|
|
225 10F+1 0.05688 0.15053 0.09596 0.00914 -0.03059
|
|
226 10F-1 0.01491 -0.11351 -0.00734 0.06843 0.05578
|
|
227 10F+2 0.03716 0.05784 -0.09119 -0.05014 -0.01535
|
|
228 10F-2 0.04496 0.25266 -0.02341 -0.04588 0.06895
|
|
229 10F+3 -0.05326 0.05837 0.13508 -0.02578 -0.05438
|
|
230 10F-3 -0.12927 -0.09885 0.11267 0.01887 -0.22225
|
|
196 197 198 199 200
|
|
V V V V V
|
|
Eigenvalues -- 9.76398 9.78213 9.94620 9.98492 10.02217
|
|
1 1 N 1S 0.00100 0.00533 -0.02225 0.00550 0.01065
|
|
2 2S -0.00409 -0.01365 0.03595 -0.00524 -0.03572
|
|
3 3S -0.22006 -0.07942 0.26244 -0.04216 0.05432
|
|
4 4S 0.82305 -0.12146 0.39310 -0.04387 -2.06643
|
|
5 5S -0.13420 -0.56820 -0.60876 -0.19180 -1.39286
|
|
6 6PX -0.16249 -0.05196 0.08289 -0.06384 -0.11774
|
|
7 6PY 0.11832 -0.05843 0.23067 0.03528 0.13788
|
|
8 6PZ -0.03638 -0.11328 -0.08144 -0.09661 0.11765
|
|
9 7PX 0.41540 0.18583 -0.18502 0.10995 0.36188
|
|
10 7PY -0.22590 0.06850 -0.47962 -0.15684 -0.31566
|
|
11 7PZ 0.14283 0.19363 0.26771 0.11146 -0.30763
|
|
12 8PX 0.93757 1.41573 0.57237 -0.11737 0.43594
|
|
13 8PY 0.47515 0.03346 0.45386 -0.31613 -0.09445
|
|
14 8PZ 1.34766 1.45440 0.00241 -0.10129 0.20116
|
|
15 9PX 0.22736 0.34672 -0.02041 0.00085 0.17870
|
|
16 9PY 0.17780 0.05049 0.21323 -0.28591 0.01932
|
|
17 9PZ 0.17501 0.20324 0.02924 -0.19043 -0.16419
|
|
18 10D 0 0.13024 -0.03466 0.16737 0.20903 -0.13466
|
|
19 10D+1 0.00456 -0.09264 -0.32220 -0.03902 0.33337
|
|
20 10D-1 -0.32304 -0.09095 -0.01182 -0.21000 -0.04748
|
|
21 10D+2 0.15589 -0.03184 0.39474 0.16686 0.07673
|
|
22 10D-2 -0.08481 -0.30532 0.05557 0.08389 0.25342
|
|
23 11D 0 0.14942 0.33322 -0.08088 -0.24386 0.15198
|
|
24 11D+1 0.11047 -0.04311 0.28653 -0.02570 -0.47237
|
|
25 11D-1 0.47671 0.26395 0.12440 0.02144 0.03549
|
|
26 11D+2 -0.36298 -0.19799 -0.50525 -0.12494 -0.30244
|
|
27 11D-2 0.22185 0.37085 0.00505 -0.11895 -0.08825
|
|
28 12D 0 0.19908 0.00063 0.24990 -0.60451 -0.01156
|
|
29 12D+1 0.16115 0.01812 -0.20565 -0.25445 -0.51830
|
|
30 12D-1 0.43973 -0.01162 0.03484 -0.30832 0.18469
|
|
31 12D+2 0.15995 -0.04897 0.12673 -0.27717 -0.22780
|
|
32 12D-2 0.43865 0.27922 0.27297 -0.10248 0.18544
|
|
33 13F 0 0.23742 0.25824 0.16103 0.49345 0.02067
|
|
34 13F+1 -0.31002 -0.41642 0.07452 0.12330 -0.03061
|
|
35 13F-1 -0.21458 -0.08537 0.13342 -0.38109 0.05590
|
|
36 13F+2 -0.16149 -0.10972 -0.01496 0.20114 -0.31041
|
|
37 13F-2 0.14854 -0.15803 -0.58279 -0.07349 0.13666
|
|
38 13F+3 0.01736 -0.06935 -0.18178 -0.07097 -0.22843
|
|
39 13F-3 0.14350 0.23088 0.08438 -0.24062 -0.15575
|
|
40 14F 0 -0.18624 -0.57311 -0.16009 -0.79522 -0.24330
|
|
41 14F+1 0.39655 0.32582 -0.15620 -0.01876 -0.11037
|
|
42 14F-1 0.18066 0.19198 -0.11773 0.29208 -0.02890
|
|
43 14F+2 0.04982 -0.05457 -0.07044 -0.24055 0.30789
|
|
44 14F-2 -0.07859 0.02811 0.68919 -0.01944 -0.32834
|
|
45 14F+3 -0.24088 -0.00187 0.26042 0.09281 0.51666
|
|
46 14F-3 -0.23562 -0.21505 -0.13127 0.20368 0.14636
|
|
47 15G 0 0.14033 -0.12945 -0.19034 -0.34736 -0.13061
|
|
48 15G+1 0.00127 0.14548 -0.00359 0.08155 0.29437
|
|
49 15G-1 -0.09472 0.05523 -0.01732 0.11499 -0.10139
|
|
50 15G+2 -0.15379 0.05181 0.00853 -0.14329 0.20653
|
|
51 15G-2 0.20671 0.16048 0.16458 -0.03125 -0.00954
|
|
52 15G+3 -0.18265 -0.01396 0.10018 -0.02623 0.26704
|
|
53 15G-3 0.14831 0.32805 -0.02487 -0.08056 0.13225
|
|
54 15G+4 0.04835 -0.02256 -0.21574 -0.03819 -0.08261
|
|
55 15G-4 0.22651 -0.12078 -0.06431 -0.03720 -0.23806
|
|
56 2 N 1S 0.00100 -0.00533 -0.02225 -0.00550 0.01065
|
|
57 2S -0.00409 0.01365 0.03595 0.00524 -0.03572
|
|
58 3S -0.22006 0.07942 0.26244 0.04216 0.05432
|
|
59 4S 0.82305 0.12146 0.39310 0.04387 -2.06643
|
|
60 5S -0.13420 0.56820 -0.60876 0.19180 -1.39286
|
|
61 6PX 0.16249 -0.05196 -0.08289 -0.06384 0.11774
|
|
62 6PY -0.11832 -0.05843 -0.23067 0.03528 -0.13788
|
|
63 6PZ -0.03638 0.11328 -0.08144 0.09661 0.11765
|
|
64 7PX -0.41540 0.18583 0.18502 0.10995 -0.36188
|
|
65 7PY 0.22590 0.06850 0.47962 -0.15684 0.31566
|
|
66 7PZ 0.14283 -0.19363 0.26771 -0.11146 -0.30763
|
|
67 8PX -0.93757 1.41573 -0.57237 -0.11737 -0.43594
|
|
68 8PY -0.47515 0.03346 -0.45386 -0.31613 0.09445
|
|
69 8PZ 1.34766 -1.45440 0.00241 0.10129 0.20116
|
|
70 9PX -0.22736 0.34672 0.02041 0.00085 -0.17870
|
|
71 9PY -0.17780 0.05049 -0.21323 -0.28591 -0.01932
|
|
72 9PZ 0.17501 -0.20324 0.02924 0.19043 -0.16419
|
|
73 10D 0 0.13024 0.03466 0.16737 -0.20903 -0.13466
|
|
74 10D+1 -0.00456 -0.09264 0.32220 -0.03902 -0.33337
|
|
75 10D-1 0.32304 -0.09095 0.01182 -0.21000 0.04748
|
|
76 10D+2 0.15589 0.03184 0.39474 -0.16686 0.07673
|
|
77 10D-2 -0.08481 0.30532 0.05557 -0.08389 0.25342
|
|
78 11D 0 0.14942 -0.33322 -0.08088 0.24386 0.15198
|
|
79 11D+1 -0.11047 -0.04311 -0.28653 -0.02570 0.47237
|
|
80 11D-1 -0.47671 0.26395 -0.12440 0.02144 -0.03549
|
|
81 11D+2 -0.36298 0.19799 -0.50525 0.12494 -0.30244
|
|
82 11D-2 0.22185 -0.37085 0.00505 0.11895 -0.08825
|
|
83 12D 0 0.19908 -0.00063 0.24990 0.60451 -0.01156
|
|
84 12D+1 -0.16115 0.01812 0.20565 -0.25445 0.51830
|
|
85 12D-1 -0.43973 -0.01162 -0.03484 -0.30832 -0.18469
|
|
86 12D+2 0.15995 0.04897 0.12673 0.27717 -0.22780
|
|
87 12D-2 0.43865 -0.27922 0.27297 0.10248 0.18544
|
|
88 13F 0 0.23742 -0.25824 0.16103 -0.49345 0.02067
|
|
89 13F+1 0.31002 -0.41642 -0.07452 0.12330 0.03061
|
|
90 13F-1 0.21458 -0.08537 -0.13342 -0.38109 -0.05590
|
|
91 13F+2 -0.16149 0.10972 -0.01496 -0.20114 -0.31041
|
|
92 13F-2 0.14854 0.15803 -0.58279 0.07349 0.13666
|
|
93 13F+3 -0.01736 -0.06935 0.18178 -0.07097 0.22843
|
|
94 13F-3 -0.14350 0.23088 -0.08438 -0.24062 0.15575
|
|
95 14F 0 -0.18624 0.57311 -0.16009 0.79522 -0.24330
|
|
96 14F+1 -0.39655 0.32582 0.15620 -0.01876 0.11037
|
|
97 14F-1 -0.18066 0.19198 0.11773 0.29208 0.02890
|
|
98 14F+2 0.04982 0.05457 -0.07044 0.24055 0.30789
|
|
99 14F-2 -0.07859 -0.02811 0.68919 0.01944 -0.32834
|
|
100 14F+3 0.24088 -0.00187 -0.26042 0.09281 -0.51666
|
|
101 14F-3 0.23562 -0.21505 0.13127 0.20368 -0.14636
|
|
102 15G 0 0.14033 0.12945 -0.19034 0.34736 -0.13061
|
|
103 15G+1 -0.00127 0.14548 0.00359 0.08155 -0.29437
|
|
104 15G-1 0.09472 0.05523 0.01732 0.11499 0.10139
|
|
105 15G+2 -0.15379 -0.05181 0.00853 0.14329 0.20653
|
|
106 15G-2 0.20671 -0.16048 0.16458 0.03125 -0.00954
|
|
107 15G+3 0.18265 -0.01396 -0.10018 -0.02623 -0.26704
|
|
108 15G-3 -0.14831 0.32805 0.02487 -0.08056 -0.13225
|
|
109 15G+4 0.04835 0.02256 -0.21574 0.03819 -0.08261
|
|
110 15G-4 0.22651 0.12078 -0.06431 0.03720 -0.23806
|
|
111 3 H 1S 0.29317 0.20314 0.11126 -0.11265 -0.01774
|
|
112 2S -0.99574 -0.53348 -0.20882 0.44044 0.27825
|
|
113 3S -1.64028 -1.44510 -0.34034 0.83057 0.78380
|
|
114 4S -0.05135 -0.06318 0.01359 0.09724 0.06766
|
|
115 5PX -0.06627 -0.18446 -0.10057 0.03562 -0.26864
|
|
116 5PY 0.08020 -0.01791 -0.02336 -0.05107 0.22232
|
|
117 5PZ -0.30668 -0.22381 -0.10504 0.08525 0.07676
|
|
118 6PX 0.04141 0.04482 -0.02600 -0.13885 0.27502
|
|
119 6PY 0.02947 0.01243 -0.09988 -0.42196 -0.30178
|
|
120 6PZ 1.01035 0.83549 0.38672 -0.07448 -0.36023
|
|
121 7PX 0.17349 0.13430 0.16937 -0.12183 0.19834
|
|
122 7PY 0.03704 0.26613 -0.05282 -0.15151 -0.31904
|
|
123 7PZ 0.82843 0.68126 0.23736 -0.22993 -0.21305
|
|
124 8D 0 0.10210 -0.02677 -0.06462 -0.06989 0.00652
|
|
125 8D+1 0.14189 0.16473 0.06461 -0.04028 0.19934
|
|
126 8D-1 0.00196 0.06276 0.03024 0.08205 -0.14797
|
|
127 8D+2 0.24020 -0.02915 0.02756 -0.07717 0.13720
|
|
128 8D-2 -0.10706 0.04491 0.09503 0.13115 0.16813
|
|
129 9D 0 -0.55968 -0.32953 -0.22364 0.01419 0.19453
|
|
130 9D+1 -0.20916 -0.23966 -0.09545 0.08772 -0.28321
|
|
131 9D-1 -0.07160 -0.15394 0.00230 0.06470 0.25733
|
|
132 9D+2 -0.22244 -0.05304 -0.09100 0.01860 -0.34816
|
|
133 9D-2 0.07568 0.03199 -0.16340 0.12664 0.00994
|
|
134 10F 0 0.07996 -0.07848 -0.04457 -0.21415 -0.07409
|
|
135 10F+1 0.04240 0.12573 0.10417 -0.01170 0.06947
|
|
136 10F-1 0.00857 0.00170 0.03503 0.09892 -0.04378
|
|
137 10F+2 -0.00596 0.14577 0.02504 -0.13861 0.17351
|
|
138 10F-2 0.11245 0.09452 0.11053 -0.08569 -0.15172
|
|
139 10F+3 -0.04572 0.03409 -0.08723 0.03366 0.11027
|
|
140 10F-3 -0.00045 0.03049 0.03703 -0.09504 0.01463
|
|
141 4 H 1S -0.08926 -0.19039 -0.05217 0.03889 -0.11523
|
|
142 2S 0.13122 0.59806 0.24281 0.01261 0.57165
|
|
143 3S 1.65366 1.94404 0.71910 0.00000 2.06932
|
|
144 4S 0.06317 0.11086 0.05140 0.04597 0.06864
|
|
145 5PX -0.18628 -0.27001 -0.05680 0.01647 -0.22333
|
|
146 5PY -0.03452 -0.04555 -0.06084 0.04940 0.07736
|
|
147 5PZ -0.18473 -0.08424 -0.03874 0.20195 0.01979
|
|
148 6PX 0.64953 0.91877 0.10329 0.00054 0.77818
|
|
149 6PY 0.16136 -0.03060 -0.16329 -0.18418 -0.45937
|
|
150 6PZ 0.02721 -0.06176 0.26454 -0.36141 -0.16349
|
|
151 7PX 0.81675 0.85990 0.23145 -0.00133 0.84809
|
|
152 7PY -0.17223 -0.17815 -0.20052 -0.08753 -0.41730
|
|
153 7PZ 0.23764 0.24677 0.13357 -0.12689 0.15593
|
|
154 8D 0 0.05859 -0.19296 0.02820 -0.04859 -0.09481
|
|
155 8D+1 -0.21224 -0.23798 -0.05075 0.08522 -0.05516
|
|
156 8D-1 0.06603 -0.11089 -0.08851 0.00593 -0.13625
|
|
157 8D+2 0.04130 -0.12164 -0.04352 -0.04468 -0.03151
|
|
158 8D-2 0.04559 -0.00884 -0.04543 0.02199 0.08589
|
|
159 9D 0 -0.10983 -0.10338 0.01932 -0.10094 -0.30956
|
|
160 9D+1 0.25497 0.22487 0.21091 -0.22679 0.09893
|
|
161 9D-1 -0.04763 0.05846 0.03275 0.05020 -0.10547
|
|
162 9D+2 0.39332 0.48164 -0.05826 -0.00003 0.23076
|
|
163 9D-2 -0.12383 -0.10529 -0.07551 -0.10717 -0.34023
|
|
164 10F 0 -0.04840 -0.07510 0.05395 0.04830 -0.16564
|
|
165 10F+1 0.16488 -0.07792 0.00788 -0.10365 -0.14023
|
|
166 10F-1 -0.02409 0.00866 -0.00379 -0.01918 0.01140
|
|
167 10F+2 0.10478 0.02455 -0.01979 0.01360 0.07779
|
|
168 10F-2 -0.10766 -0.13957 -0.00075 0.03476 -0.21027
|
|
169 10F+3 0.08248 0.02061 0.08599 0.02102 0.06557
|
|
170 10F-3 -0.11241 0.00149 0.08842 0.00231 0.13630
|
|
171 5 H 1S 0.29317 -0.20314 0.11126 0.11265 -0.01774
|
|
172 2S -0.99574 0.53348 -0.20882 -0.44044 0.27825
|
|
173 3S -1.64028 1.44510 -0.34034 -0.83057 0.78380
|
|
174 4S -0.05135 0.06318 0.01359 -0.09724 0.06766
|
|
175 5PX 0.06627 -0.18446 0.10057 0.03562 0.26864
|
|
176 5PY -0.08020 -0.01791 0.02336 -0.05107 -0.22232
|
|
177 5PZ -0.30668 0.22381 -0.10504 -0.08525 0.07676
|
|
178 6PX -0.04141 0.04482 0.02600 -0.13885 -0.27502
|
|
179 6PY -0.02947 0.01243 0.09988 -0.42196 0.30178
|
|
180 6PZ 1.01035 -0.83549 0.38672 0.07448 -0.36023
|
|
181 7PX -0.17349 0.13430 -0.16937 -0.12183 -0.19834
|
|
182 7PY -0.03704 0.26613 0.05282 -0.15151 0.31904
|
|
183 7PZ 0.82843 -0.68126 0.23736 0.22993 -0.21305
|
|
184 8D 0 0.10210 0.02677 -0.06462 0.06989 0.00652
|
|
185 8D+1 -0.14189 0.16473 -0.06461 -0.04028 -0.19934
|
|
186 8D-1 -0.00196 0.06276 -0.03024 0.08205 0.14797
|
|
187 8D+2 0.24020 0.02915 0.02756 0.07717 0.13720
|
|
188 8D-2 -0.10706 -0.04491 0.09503 -0.13115 0.16813
|
|
189 9D 0 -0.55968 0.32953 -0.22364 -0.01419 0.19453
|
|
190 9D+1 0.20916 -0.23966 0.09545 0.08772 0.28321
|
|
191 9D-1 0.07160 -0.15394 -0.00230 0.06470 -0.25733
|
|
192 9D+2 -0.22244 0.05304 -0.09100 -0.01860 -0.34816
|
|
193 9D-2 0.07568 -0.03199 -0.16340 -0.12664 0.00994
|
|
194 10F 0 0.07996 0.07848 -0.04457 0.21415 -0.07409
|
|
195 10F+1 -0.04240 0.12573 -0.10417 -0.01170 -0.06947
|
|
196 10F-1 -0.00857 0.00170 -0.03503 0.09892 0.04378
|
|
197 10F+2 -0.00596 -0.14577 0.02504 0.13861 0.17351
|
|
198 10F-2 0.11245 -0.09452 0.11053 0.08569 -0.15172
|
|
199 10F+3 0.04572 0.03409 0.08723 0.03366 -0.11027
|
|
200 10F-3 0.00045 0.03049 -0.03703 -0.09504 -0.01463
|
|
201 6 H 1S -0.08926 0.19039 -0.05217 -0.03889 -0.11523
|
|
202 2S 0.13122 -0.59806 0.24281 -0.01261 0.57165
|
|
203 3S 1.65366 -1.94404 0.71910 0.00000 2.06932
|
|
204 4S 0.06317 -0.11086 0.05140 -0.04597 0.06864
|
|
205 5PX 0.18628 -0.27001 0.05680 0.01647 0.22333
|
|
206 5PY 0.03452 -0.04555 0.06084 0.04940 -0.07736
|
|
207 5PZ -0.18473 0.08424 -0.03874 -0.20195 0.01979
|
|
208 6PX -0.64953 0.91877 -0.10329 0.00054 -0.77818
|
|
209 6PY -0.16136 -0.03060 0.16329 -0.18418 0.45937
|
|
210 6PZ 0.02721 0.06176 0.26454 0.36141 -0.16349
|
|
211 7PX -0.81675 0.85990 -0.23145 -0.00133 -0.84809
|
|
212 7PY 0.17223 -0.17815 0.20052 -0.08753 0.41730
|
|
213 7PZ 0.23764 -0.24677 0.13357 0.12689 0.15593
|
|
214 8D 0 0.05859 0.19296 0.02820 0.04859 -0.09481
|
|
215 8D+1 0.21224 -0.23798 0.05075 0.08522 0.05516
|
|
216 8D-1 -0.06603 -0.11089 0.08851 0.00593 0.13625
|
|
217 8D+2 0.04130 0.12164 -0.04352 0.04468 -0.03151
|
|
218 8D-2 0.04559 0.00884 -0.04543 -0.02199 0.08589
|
|
219 9D 0 -0.10983 0.10338 0.01932 0.10094 -0.30956
|
|
220 9D+1 -0.25497 0.22487 -0.21091 -0.22679 -0.09893
|
|
221 9D-1 0.04763 0.05846 -0.03275 0.05020 0.10547
|
|
222 9D+2 0.39332 -0.48164 -0.05826 0.00003 0.23076
|
|
223 9D-2 -0.12383 0.10529 -0.07551 0.10717 -0.34023
|
|
224 10F 0 -0.04840 0.07510 0.05395 -0.04830 -0.16564
|
|
225 10F+1 -0.16488 -0.07792 -0.00788 -0.10365 0.14023
|
|
226 10F-1 0.02409 0.00866 0.00379 -0.01918 -0.01140
|
|
227 10F+2 0.10478 -0.02455 -0.01979 -0.01360 0.07779
|
|
228 10F-2 -0.10766 0.13957 -0.00075 -0.03476 -0.21027
|
|
229 10F+3 -0.08248 0.02061 -0.08599 0.02102 -0.06557
|
|
230 10F-3 0.11241 0.00149 -0.08842 0.00231 -0.13630
|
|
201 202 203 204 205
|
|
V V V V V
|
|
Eigenvalues -- 10.15166 10.23271 10.30841 10.37263 10.40104
|
|
1 1 N 1S 0.01855 -0.01346 0.01937 -0.01667 0.02446
|
|
2 2S 0.00730 0.01068 -0.01857 0.01670 -0.05787
|
|
3 3S -0.30686 0.31258 -0.61073 0.44719 -1.41524
|
|
4 4S 1.75276 -1.05656 2.40558 -1.60794 4.58767
|
|
5 5S 0.42156 -0.14924 1.02339 -0.89687 2.59831
|
|
6 6PX 0.12738 -0.14927 0.10613 -0.05186 0.09986
|
|
7 6PY -0.28127 0.12389 -0.13470 0.10943 0.14238
|
|
8 6PZ -0.12099 -0.11815 -0.18564 0.00788 -0.02717
|
|
9 7PX -0.37689 0.27875 -0.22652 0.14152 -0.02525
|
|
10 7PY 0.66538 -0.28286 0.30190 -0.19445 -0.35048
|
|
11 7PZ 0.26432 0.25306 0.23681 0.08910 -0.12266
|
|
12 8PX 0.84854 1.57879 -0.18331 2.34386 -1.11538
|
|
13 8PY -1.38915 0.32631 0.31203 -0.51681 1.90117
|
|
14 8PZ 0.14109 0.54642 1.04925 1.25680 2.47561
|
|
15 9PX 0.12205 0.21356 -0.09810 0.49702 -0.10169
|
|
16 9PY -0.27215 0.04983 0.07884 0.00279 0.09506
|
|
17 9PZ -0.04318 0.12470 0.15926 0.23381 0.69975
|
|
18 10D 0 0.12590 -0.01673 -0.25850 -0.27669 -0.23985
|
|
19 10D+1 -0.44138 0.19001 -0.26829 0.09475 -0.29369
|
|
20 10D-1 0.10674 -0.05663 0.21575 0.07754 0.01494
|
|
21 10D+2 0.12150 0.03610 -0.05275 0.25744 0.07473
|
|
22 10D-2 -0.11850 -0.03685 0.09891 0.13594 0.32110
|
|
23 11D 0 -0.07430 0.10670 0.36794 0.47522 0.26360
|
|
24 11D+1 0.54568 -0.19927 0.30774 -0.10180 0.22622
|
|
25 11D-1 0.03562 0.27777 -0.19661 -0.01008 0.16407
|
|
26 11D+2 -0.02261 -0.20108 0.16798 -0.45136 -0.17689
|
|
27 11D-2 0.23464 0.25838 -0.09449 0.12259 -0.54457
|
|
28 12D 0 0.14005 0.26897 0.20796 0.69814 0.44347
|
|
29 12D+1 0.57480 -0.26855 0.38252 -0.15681 0.11733
|
|
30 12D-1 -0.03648 1.28064 0.15543 0.26760 0.07909
|
|
31 12D+2 -0.37499 -0.58207 0.21188 -0.36355 -0.00680
|
|
32 12D-2 0.68823 0.52569 0.10602 0.36654 -0.54700
|
|
33 13F 0 -0.16435 -0.16639 -0.46497 -0.26518 -0.25697
|
|
34 13F+1 -0.12343 0.16011 -0.22172 0.38713 0.08374
|
|
35 13F-1 -0.11031 -0.37066 -0.00107 -0.18297 -0.03772
|
|
36 13F+2 0.17254 -0.13858 -0.42146 -0.00078 0.27658
|
|
37 13F-2 -0.31448 0.15288 -0.16396 0.11323 -0.18635
|
|
38 13F+3 -0.20530 -0.37692 -0.02960 -0.16720 0.06223
|
|
39 13F-3 -0.06382 0.12545 -0.12269 0.18026 -0.02499
|
|
40 14F 0 0.35207 -0.02605 0.55205 0.24624 0.09266
|
|
41 14F+1 0.28872 -0.29826 0.50170 -0.50750 -0.06887
|
|
42 14F-1 0.21110 0.79911 0.07644 0.17173 0.33857
|
|
43 14F+2 -0.33015 0.10234 0.37023 -0.00473 -0.70249
|
|
44 14F-2 0.40320 -0.17668 0.29988 -0.17108 0.10977
|
|
45 14F+3 0.04885 0.38336 -0.06821 -0.06166 -0.02295
|
|
46 14F-3 -0.33429 -0.38588 0.17989 -0.39083 0.59873
|
|
47 15G 0 0.22824 0.04858 0.27002 0.00286 -0.16098
|
|
48 15G+1 -0.13228 -0.19468 0.17031 -0.26646 -0.08583
|
|
49 15G-1 0.06454 0.31168 -0.08526 -0.05008 0.22408
|
|
50 15G+2 -0.19035 0.22230 -0.00982 -0.03169 0.02683
|
|
51 15G-2 0.04647 -0.10561 0.04650 -0.02914 -0.05884
|
|
52 15G+3 -0.07308 0.13708 -0.17782 0.03753 0.15523
|
|
53 15G-3 -0.07541 0.16381 -0.11827 -0.10518 0.18895
|
|
54 15G+4 -0.25305 -0.20697 0.04663 0.04928 0.20423
|
|
55 15G-4 0.12604 0.08125 -0.04858 0.19253 -0.14846
|
|
56 2 N 1S -0.01855 0.01346 0.01937 -0.01667 -0.02446
|
|
57 2S -0.00730 -0.01068 -0.01857 0.01670 0.05787
|
|
58 3S 0.30686 -0.31258 -0.61073 0.44719 1.41524
|
|
59 4S -1.75276 1.05656 2.40558 -1.60794 -4.58767
|
|
60 5S -0.42156 0.14924 1.02339 -0.89687 -2.59831
|
|
61 6PX 0.12738 -0.14927 -0.10613 0.05186 0.09986
|
|
62 6PY -0.28127 0.12389 0.13470 -0.10943 0.14238
|
|
63 6PZ 0.12099 0.11815 -0.18564 0.00788 0.02717
|
|
64 7PX -0.37689 0.27875 0.22652 -0.14152 -0.02525
|
|
65 7PY 0.66538 -0.28286 -0.30190 0.19445 -0.35048
|
|
66 7PZ -0.26432 -0.25306 0.23681 0.08910 0.12266
|
|
67 8PX 0.84854 1.57879 0.18331 -2.34386 -1.11538
|
|
68 8PY -1.38915 0.32631 -0.31203 0.51681 1.90117
|
|
69 8PZ -0.14109 -0.54642 1.04925 1.25680 -2.47561
|
|
70 9PX 0.12205 0.21356 0.09810 -0.49702 -0.10169
|
|
71 9PY -0.27215 0.04983 -0.07884 -0.00279 0.09506
|
|
72 9PZ 0.04318 -0.12470 0.15926 0.23381 -0.69975
|
|
73 10D 0 -0.12590 0.01673 -0.25850 -0.27669 0.23985
|
|
74 10D+1 -0.44138 0.19001 0.26829 -0.09475 -0.29369
|
|
75 10D-1 0.10674 -0.05663 -0.21575 -0.07754 0.01494
|
|
76 10D+2 -0.12150 -0.03610 -0.05275 0.25744 -0.07473
|
|
77 10D-2 0.11850 0.03685 0.09891 0.13594 -0.32110
|
|
78 11D 0 0.07430 -0.10670 0.36794 0.47522 -0.26360
|
|
79 11D+1 0.54568 -0.19927 -0.30774 0.10180 0.22622
|
|
80 11D-1 0.03562 0.27777 0.19661 0.01008 0.16407
|
|
81 11D+2 0.02261 0.20108 0.16798 -0.45136 0.17689
|
|
82 11D-2 -0.23464 -0.25838 -0.09449 0.12259 0.54457
|
|
83 12D 0 -0.14005 -0.26897 0.20796 0.69814 -0.44347
|
|
84 12D+1 0.57480 -0.26855 -0.38252 0.15681 0.11733
|
|
85 12D-1 -0.03648 1.28064 -0.15543 -0.26760 0.07909
|
|
86 12D+2 0.37499 0.58207 0.21188 -0.36355 0.00680
|
|
87 12D-2 -0.68823 -0.52569 0.10602 0.36654 0.54700
|
|
88 13F 0 0.16435 0.16639 -0.46497 -0.26518 0.25697
|
|
89 13F+1 -0.12343 0.16011 0.22172 -0.38713 0.08374
|
|
90 13F-1 -0.11031 -0.37066 0.00107 0.18297 -0.03772
|
|
91 13F+2 -0.17254 0.13858 -0.42146 -0.00078 -0.27658
|
|
92 13F-2 0.31448 -0.15288 -0.16396 0.11323 0.18635
|
|
93 13F+3 -0.20530 -0.37692 0.02960 0.16720 0.06223
|
|
94 13F-3 -0.06382 0.12545 0.12269 -0.18026 -0.02499
|
|
95 14F 0 -0.35207 0.02605 0.55205 0.24624 -0.09266
|
|
96 14F+1 0.28872 -0.29826 -0.50170 0.50750 -0.06887
|
|
97 14F-1 0.21110 0.79911 -0.07644 -0.17173 0.33857
|
|
98 14F+2 0.33015 -0.10234 0.37023 -0.00473 0.70249
|
|
99 14F-2 -0.40320 0.17668 0.29988 -0.17108 -0.10977
|
|
100 14F+3 0.04885 0.38336 0.06821 0.06166 -0.02295
|
|
101 14F-3 -0.33429 -0.38588 -0.17989 0.39083 0.59873
|
|
102 15G 0 -0.22824 -0.04858 0.27002 0.00286 0.16098
|
|
103 15G+1 -0.13228 -0.19468 -0.17031 0.26646 -0.08583
|
|
104 15G-1 0.06454 0.31168 0.08526 0.05008 0.22408
|
|
105 15G+2 0.19035 -0.22230 -0.00982 -0.03169 -0.02683
|
|
106 15G-2 -0.04647 0.10561 0.04650 -0.02914 0.05884
|
|
107 15G+3 -0.07308 0.13708 0.17782 -0.03753 0.15523
|
|
108 15G-3 -0.07541 0.16381 0.11827 0.10518 0.18895
|
|
109 15G+4 0.25305 0.20697 0.04663 0.04928 -0.20423
|
|
110 15G-4 -0.12604 -0.08125 -0.04858 0.19253 0.14846
|
|
111 3 H 1S 0.05903 0.13996 0.15251 0.32181 0.46905
|
|
112 2S -0.75363 -0.85107 -1.04040 -0.74508 -1.71274
|
|
113 3S -0.35822 -0.83278 -1.38932 -0.91497 -2.82567
|
|
114 4S 0.01439 0.01079 -0.05421 0.00994 -0.13757
|
|
115 5PX 0.25244 0.06356 0.00652 0.05326 -0.21312
|
|
116 5PY -0.05658 0.24901 -0.02348 -0.23364 -0.13594
|
|
117 5PZ -0.08822 -0.13541 -0.10623 -0.24449 -0.29828
|
|
118 6PX -0.33099 0.24030 -0.06646 0.24563 0.77019
|
|
119 6PY 0.27426 -0.43484 0.60216 0.40413 0.30791
|
|
120 6PZ 0.47727 0.51880 0.58914 0.46772 1.22806
|
|
121 7PX -0.25209 0.08327 0.06704 0.06695 0.39503
|
|
122 7PY 0.08513 -0.30839 0.28157 0.16592 0.40659
|
|
123 7PZ 0.22075 0.40684 0.49768 0.28442 0.83517
|
|
124 8D 0 0.10725 0.07479 0.07025 0.00812 0.04864
|
|
125 8D+1 -0.14586 -0.04062 0.01708 -0.05793 -0.05792
|
|
126 8D-1 0.06071 -0.13119 0.04142 0.10363 0.11917
|
|
127 8D+2 0.00134 -0.16964 0.17517 -0.05076 -0.18714
|
|
128 8D-2 -0.12086 -0.03334 -0.03943 -0.00545 0.09508
|
|
129 9D 0 -0.34445 -0.34975 -0.16019 -0.09212 -0.21742
|
|
130 9D+1 0.22270 -0.01015 -0.01455 0.03198 -0.33136
|
|
131 9D-1 -0.12253 0.20756 -0.28743 -0.24227 -0.15088
|
|
132 9D+2 0.23204 -0.21109 0.00858 0.11456 0.00806
|
|
133 9D-2 0.02393 0.11730 -0.07155 -0.12720 -0.15024
|
|
134 10F 0 0.13937 0.15154 0.09562 0.10885 -0.08982
|
|
135 10F+1 0.06058 -0.14024 0.11429 -0.15206 0.00864
|
|
136 10F-1 -0.02023 0.17409 -0.12792 0.04955 -0.03555
|
|
137 10F+2 -0.08025 0.10923 0.02584 -0.15350 0.11822
|
|
138 10F-2 0.08488 -0.10064 0.05842 -0.03691 -0.06747
|
|
139 10F+3 -0.11177 0.08017 -0.02067 -0.05120 0.04650
|
|
140 10F-3 -0.04752 0.10371 -0.00181 0.01053 0.00980
|
|
141 4 H 1S -0.08290 -0.27311 0.05897 -0.48283 0.17613
|
|
142 2S 0.32299 1.57895 -0.56176 1.68586 -1.16121
|
|
143 3S 0.02554 1.38404 -0.71977 2.64325 -1.46253
|
|
144 4S 0.01300 0.02330 -0.05366 0.08026 -0.03196
|
|
145 5PX 0.03562 -0.22365 0.06761 -0.42425 0.13722
|
|
146 5PY -0.33473 -0.05854 -0.08104 0.11402 0.32359
|
|
147 5PZ -0.15161 0.15760 -0.08361 0.02109 0.16217
|
|
148 6PX -0.07291 0.96214 -0.40253 1.35023 -0.88651
|
|
149 6PY 0.61236 -0.09352 0.13213 -0.21210 -0.42125
|
|
150 6PZ 0.48856 0.08086 -0.08969 0.37966 -0.24906
|
|
151 7PX -0.08393 0.56143 -0.25096 0.98827 -0.57153
|
|
152 7PY 0.33007 -0.06993 0.17740 -0.29430 -0.17206
|
|
153 7PZ 0.23940 -0.05716 0.02787 0.18354 -0.26486
|
|
154 8D 0 0.06383 0.12459 -0.10545 0.18920 -0.07473
|
|
155 8D+1 -0.04602 0.16398 -0.14550 0.08474 0.01263
|
|
156 8D-1 0.04865 -0.03588 0.10769 0.06042 -0.06902
|
|
157 8D+2 0.08878 -0.07208 0.03748 -0.02443 0.07181
|
|
158 8D-2 -0.14485 0.02714 -0.09024 0.14389 0.11823
|
|
159 9D 0 0.39177 -0.21120 0.19618 -0.35339 -0.10410
|
|
160 9D+1 0.16310 -0.12237 0.05438 0.10757 -0.22670
|
|
161 9D-1 0.06302 -0.08045 0.11156 -0.10919 -0.11140
|
|
162 9D+2 0.09398 0.39556 -0.11872 0.39462 -0.45991
|
|
163 9D-2 0.41689 -0.05504 0.11170 -0.17700 -0.29933
|
|
164 10F 0 0.20627 0.01486 0.01696 0.02792 -0.00145
|
|
165 10F+1 0.16492 -0.08238 0.04172 -0.07781 -0.28633
|
|
166 10F-1 -0.12552 -0.09062 0.02872 -0.02058 0.04214
|
|
167 10F+2 -0.02792 -0.06304 0.03715 -0.07852 -0.18539
|
|
168 10F-2 0.14890 -0.02274 0.15474 0.05766 -0.08479
|
|
169 10F+3 0.18029 0.15831 0.00920 0.09850 -0.10858
|
|
170 10F-3 -0.04533 -0.02668 0.01160 -0.02455 -0.04055
|
|
171 5 H 1S -0.05903 -0.13996 0.15251 0.32181 -0.46905
|
|
172 2S 0.75363 0.85107 -1.04040 -0.74508 1.71274
|
|
173 3S 0.35822 0.83278 -1.38932 -0.91497 2.82567
|
|
174 4S -0.01439 -0.01079 -0.05421 0.00994 0.13757
|
|
175 5PX 0.25244 0.06356 -0.00652 -0.05326 -0.21312
|
|
176 5PY -0.05658 0.24901 0.02348 0.23364 -0.13594
|
|
177 5PZ 0.08822 0.13541 -0.10623 -0.24449 0.29828
|
|
178 6PX -0.33099 0.24030 0.06646 -0.24563 0.77019
|
|
179 6PY 0.27426 -0.43484 -0.60216 -0.40413 0.30791
|
|
180 6PZ -0.47727 -0.51880 0.58914 0.46772 -1.22806
|
|
181 7PX -0.25209 0.08327 -0.06704 -0.06695 0.39503
|
|
182 7PY 0.08513 -0.30839 -0.28157 -0.16592 0.40659
|
|
183 7PZ -0.22075 -0.40684 0.49768 0.28442 -0.83517
|
|
184 8D 0 -0.10725 -0.07479 0.07025 0.00812 -0.04864
|
|
185 8D+1 -0.14586 -0.04062 -0.01708 0.05793 -0.05792
|
|
186 8D-1 0.06071 -0.13119 -0.04142 -0.10363 0.11917
|
|
187 8D+2 -0.00134 0.16964 0.17517 -0.05076 0.18714
|
|
188 8D-2 0.12086 0.03334 -0.03943 -0.00545 -0.09508
|
|
189 9D 0 0.34445 0.34975 -0.16019 -0.09212 0.21742
|
|
190 9D+1 0.22270 -0.01015 0.01455 -0.03198 -0.33136
|
|
191 9D-1 -0.12253 0.20756 0.28743 0.24227 -0.15088
|
|
192 9D+2 -0.23204 0.21109 0.00858 0.11456 -0.00806
|
|
193 9D-2 -0.02393 -0.11730 -0.07155 -0.12720 0.15024
|
|
194 10F 0 -0.13937 -0.15154 0.09562 0.10885 0.08982
|
|
195 10F+1 0.06058 -0.14024 -0.11429 0.15206 0.00864
|
|
196 10F-1 -0.02023 0.17409 0.12792 -0.04955 -0.03555
|
|
197 10F+2 0.08025 -0.10923 0.02584 -0.15350 -0.11822
|
|
198 10F-2 -0.08488 0.10064 0.05842 -0.03691 0.06747
|
|
199 10F+3 -0.11177 0.08017 0.02067 0.05120 0.04650
|
|
200 10F-3 -0.04752 0.10371 0.00181 -0.01053 0.00980
|
|
201 6 H 1S 0.08290 0.27311 0.05897 -0.48283 -0.17613
|
|
202 2S -0.32299 -1.57895 -0.56176 1.68586 1.16121
|
|
203 3S -0.02554 -1.38404 -0.71977 2.64325 1.46253
|
|
204 4S -0.01300 -0.02330 -0.05366 0.08026 0.03196
|
|
205 5PX 0.03562 -0.22365 -0.06761 0.42425 0.13722
|
|
206 5PY -0.33473 -0.05854 0.08104 -0.11402 0.32359
|
|
207 5PZ 0.15161 -0.15760 -0.08361 0.02109 -0.16217
|
|
208 6PX -0.07291 0.96214 0.40253 -1.35023 -0.88651
|
|
209 6PY 0.61236 -0.09352 -0.13213 0.21210 -0.42125
|
|
210 6PZ -0.48856 -0.08086 -0.08969 0.37966 0.24906
|
|
211 7PX -0.08393 0.56143 0.25096 -0.98827 -0.57153
|
|
212 7PY 0.33007 -0.06993 -0.17740 0.29430 -0.17206
|
|
213 7PZ -0.23940 0.05716 0.02787 0.18354 0.26486
|
|
214 8D 0 -0.06383 -0.12459 -0.10545 0.18920 0.07473
|
|
215 8D+1 -0.04602 0.16398 0.14550 -0.08474 0.01263
|
|
216 8D-1 0.04865 -0.03588 -0.10769 -0.06042 -0.06902
|
|
217 8D+2 -0.08878 0.07208 0.03748 -0.02443 -0.07181
|
|
218 8D-2 0.14485 -0.02714 -0.09024 0.14389 -0.11823
|
|
219 9D 0 -0.39177 0.21120 0.19618 -0.35339 0.10410
|
|
220 9D+1 0.16310 -0.12237 -0.05438 -0.10757 -0.22670
|
|
221 9D-1 0.06302 -0.08045 -0.11156 0.10919 -0.11140
|
|
222 9D+2 -0.09398 -0.39556 -0.11872 0.39462 0.45991
|
|
223 9D-2 -0.41689 0.05504 0.11170 -0.17700 0.29933
|
|
224 10F 0 -0.20627 -0.01486 0.01696 0.02792 0.00145
|
|
225 10F+1 0.16492 -0.08238 -0.04172 0.07781 -0.28633
|
|
226 10F-1 -0.12552 -0.09062 -0.02872 0.02058 0.04214
|
|
227 10F+2 0.02792 0.06304 0.03715 -0.07852 0.18539
|
|
228 10F-2 -0.14890 0.02274 0.15474 0.05766 0.08479
|
|
229 10F+3 0.18029 0.15831 -0.00920 -0.09850 -0.10858
|
|
230 10F-3 -0.04533 -0.02668 -0.01160 0.02455 -0.04055
|
|
206 207 208 209 210
|
|
V V V V V
|
|
Eigenvalues -- 10.46957 10.51470 10.56479 11.07407 11.15202
|
|
1 1 N 1S 0.04594 -0.01253 -0.00617 -0.07498 -0.01406
|
|
2 2S -0.04977 0.02740 0.01690 0.04184 0.03072
|
|
3 3S -1.04417 0.69254 0.37404 -0.05490 -0.05907
|
|
4 4S 3.22437 -2.24419 -1.20130 3.42268 2.30011
|
|
5 5S 1.88453 -1.26595 -0.65599 1.02295 0.99104
|
|
6 6PX -0.02972 -0.05624 0.02350 -0.01417 0.01884
|
|
7 6PY -0.15848 -0.09956 -0.10405 0.50402 0.18621
|
|
8 6PZ -0.01121 0.16631 -0.08851 -0.05879 0.03057
|
|
9 7PX 0.29619 0.06431 0.14532 0.08043 -0.50397
|
|
10 7PY 0.31771 0.16217 0.21144 -1.06002 -0.28558
|
|
11 7PZ 0.06726 -0.22776 0.38732 0.22052 -0.07988
|
|
12 8PX -0.63760 2.05341 1.29010 -1.29709 0.10864
|
|
13 8PY 1.09095 -0.52666 0.09163 1.18618 0.55847
|
|
14 8PZ 2.15807 0.72343 0.54250 0.79146 -0.00494
|
|
15 9PX -0.08542 0.60129 0.39159 -0.31873 -0.27113
|
|
16 9PY -0.06183 -0.06898 0.12765 0.46288 0.23297
|
|
17 9PZ 0.48176 0.27975 0.16692 0.22409 0.07830
|
|
18 10D 0 -0.16580 -0.37264 -0.12094 -0.12600 -0.00412
|
|
19 10D+1 -0.20896 0.10272 0.05473 0.10647 -0.09904
|
|
20 10D-1 -0.48234 0.22569 -0.03969 0.14245 -0.05241
|
|
21 10D+2 -0.20926 0.27590 0.02160 -0.21341 -0.09681
|
|
22 10D-2 0.04912 0.08471 -0.36811 -0.31276 0.57884
|
|
23 11D 0 0.39185 0.52937 0.37631 0.03704 -0.11667
|
|
24 11D+1 0.15725 -0.06535 -0.06146 0.03001 0.33063
|
|
25 11D-1 0.76131 -0.29336 0.04735 -0.07007 0.06874
|
|
26 11D+2 0.28085 -0.35162 -0.17747 0.03114 0.24332
|
|
27 11D-2 -0.10572 -0.09527 0.50365 0.26694 -0.76976
|
|
28 12D 0 0.15429 0.47121 0.12682 0.36283 0.08027
|
|
29 12D+1 0.06017 0.01206 0.07173 0.21471 0.08214
|
|
30 12D-1 0.37119 -0.49757 0.11335 0.21979 -0.00802
|
|
31 12D+2 -0.16314 -0.49136 0.08161 0.84513 0.31958
|
|
32 12D-2 0.30163 0.10441 0.04992 0.03882 -0.93377
|
|
33 13F 0 -0.09880 -0.02021 0.00322 -0.05229 -0.03945
|
|
34 13F+1 -0.10804 0.04001 0.16566 -0.03216 0.04615
|
|
35 13F-1 -0.27281 0.13524 -0.24790 0.29442 0.10239
|
|
36 13F+2 0.17501 0.04932 0.18801 -0.10336 0.05609
|
|
37 13F-2 -0.12527 0.07312 0.02642 0.13426 0.05990
|
|
38 13F+3 0.05183 -0.46980 0.41031 -0.03692 0.16386
|
|
39 13F-3 -0.02111 -0.11729 0.38749 0.45093 -0.02647
|
|
40 14F 0 0.01892 0.04037 0.07286 0.10052 -0.04981
|
|
41 14F+1 0.19026 -0.00674 -0.16742 0.18519 -0.20154
|
|
42 14F-1 0.40697 -0.64015 0.14791 -0.40559 -0.09743
|
|
43 14F+2 -0.17139 0.14675 -0.19436 0.10112 -0.00934
|
|
44 14F-2 -0.03187 -0.01721 0.08129 -0.24311 -0.08618
|
|
45 14F+3 0.18174 0.54692 -0.41947 0.36829 -0.96030
|
|
46 14F-3 0.25889 0.14966 -0.48349 -0.48350 -0.11607
|
|
47 15G 0 -0.11528 -0.11399 0.02424 -0.14163 -0.19048
|
|
48 15G+1 -0.02356 0.07255 -0.19497 -0.00952 0.08512
|
|
49 15G-1 0.02227 -0.28269 -0.12264 -0.12987 -0.08840
|
|
50 15G+2 0.11895 -0.13860 -0.18396 -0.06591 0.10307
|
|
51 15G-2 -0.17010 -0.01359 -0.04497 -0.19445 0.13079
|
|
52 15G+3 0.24922 -0.06280 -0.00567 -0.02041 0.02932
|
|
53 15G-3 0.07883 -0.18694 -0.23456 0.01840 0.11845
|
|
54 15G+4 0.05851 0.01031 0.15762 -0.26970 0.02959
|
|
55 15G-4 -0.24311 -0.21836 0.03540 -0.13989 0.74395
|
|
56 2 N 1S 0.04594 0.01253 0.00617 -0.07498 -0.01406
|
|
57 2S -0.04977 -0.02740 -0.01690 0.04184 0.03072
|
|
58 3S -1.04417 -0.69254 -0.37404 -0.05490 -0.05907
|
|
59 4S 3.22437 2.24419 1.20130 3.42268 2.30011
|
|
60 5S 1.88453 1.26595 0.65599 1.02295 0.99104
|
|
61 6PX 0.02972 -0.05624 0.02350 0.01417 -0.01884
|
|
62 6PY 0.15848 -0.09956 -0.10405 -0.50402 -0.18621
|
|
63 6PZ -0.01121 -0.16631 0.08851 -0.05879 0.03057
|
|
64 7PX -0.29619 0.06431 0.14532 -0.08043 0.50397
|
|
65 7PY -0.31771 0.16217 0.21144 1.06002 0.28558
|
|
66 7PZ 0.06726 0.22776 -0.38732 0.22052 -0.07988
|
|
67 8PX 0.63760 2.05341 1.29010 1.29709 -0.10864
|
|
68 8PY -1.09095 -0.52666 0.09163 -1.18618 -0.55847
|
|
69 8PZ 2.15807 -0.72343 -0.54250 0.79146 -0.00494
|
|
70 9PX 0.08542 0.60129 0.39159 0.31873 0.27113
|
|
71 9PY 0.06183 -0.06898 0.12765 -0.46288 -0.23297
|
|
72 9PZ 0.48176 -0.27975 -0.16692 0.22409 0.07830
|
|
73 10D 0 -0.16580 0.37264 0.12094 -0.12600 -0.00412
|
|
74 10D+1 0.20896 0.10272 0.05473 -0.10647 0.09904
|
|
75 10D-1 0.48234 0.22569 -0.03969 -0.14245 0.05241
|
|
76 10D+2 -0.20926 -0.27590 -0.02160 -0.21341 -0.09681
|
|
77 10D-2 0.04912 -0.08471 0.36811 -0.31276 0.57884
|
|
78 11D 0 0.39185 -0.52937 -0.37631 0.03704 -0.11667
|
|
79 11D+1 -0.15725 -0.06535 -0.06146 -0.03001 -0.33063
|
|
80 11D-1 -0.76131 -0.29336 0.04735 0.07007 -0.06874
|
|
81 11D+2 0.28085 0.35162 0.17747 0.03114 0.24332
|
|
82 11D-2 -0.10572 0.09527 -0.50365 0.26694 -0.76976
|
|
83 12D 0 0.15429 -0.47121 -0.12682 0.36283 0.08027
|
|
84 12D+1 -0.06017 0.01206 0.07173 -0.21471 -0.08214
|
|
85 12D-1 -0.37119 -0.49757 0.11335 -0.21979 0.00802
|
|
86 12D+2 -0.16314 0.49136 -0.08161 0.84513 0.31958
|
|
87 12D-2 0.30163 -0.10441 -0.04992 0.03882 -0.93377
|
|
88 13F 0 -0.09880 0.02021 -0.00322 -0.05229 -0.03945
|
|
89 13F+1 0.10804 0.04001 0.16566 0.03216 -0.04615
|
|
90 13F-1 0.27281 0.13524 -0.24790 -0.29442 -0.10239
|
|
91 13F+2 0.17501 -0.04932 -0.18801 -0.10336 0.05609
|
|
92 13F-2 -0.12527 -0.07312 -0.02642 0.13426 0.05990
|
|
93 13F+3 -0.05183 -0.46980 0.41031 0.03692 -0.16386
|
|
94 13F-3 0.02111 -0.11729 0.38749 -0.45093 0.02647
|
|
95 14F 0 0.01892 -0.04037 -0.07286 0.10052 -0.04981
|
|
96 14F+1 -0.19026 -0.00674 -0.16742 -0.18519 0.20154
|
|
97 14F-1 -0.40697 -0.64015 0.14791 0.40559 0.09743
|
|
98 14F+2 -0.17139 -0.14675 0.19436 0.10112 -0.00934
|
|
99 14F-2 -0.03187 0.01721 -0.08129 -0.24311 -0.08618
|
|
100 14F+3 -0.18174 0.54692 -0.41947 -0.36829 0.96030
|
|
101 14F-3 -0.25889 0.14966 -0.48349 0.48350 0.11607
|
|
102 15G 0 -0.11528 0.11399 -0.02424 -0.14163 -0.19048
|
|
103 15G+1 0.02356 0.07255 -0.19497 0.00952 -0.08512
|
|
104 15G-1 -0.02227 -0.28269 -0.12264 0.12987 0.08840
|
|
105 15G+2 0.11895 0.13860 0.18396 -0.06591 0.10307
|
|
106 15G-2 -0.17010 0.01359 0.04497 -0.19445 0.13079
|
|
107 15G+3 -0.24922 -0.06280 -0.00567 0.02041 -0.02932
|
|
108 15G-3 -0.07883 -0.18694 -0.23456 -0.01840 -0.11845
|
|
109 15G+4 0.05851 -0.01031 -0.15762 -0.26970 0.02959
|
|
110 15G-4 -0.24311 0.21836 -0.03540 -0.13989 0.74395
|
|
111 3 H 1S 0.45553 0.14014 0.12667 0.43912 0.16247
|
|
112 2S -1.39106 0.22672 -0.20183 -0.69829 -0.25168
|
|
113 3S -3.02231 -0.54015 -1.01608 -1.60092 -0.41141
|
|
114 4S -0.12141 -0.06178 -0.09656 -0.04311 -0.00407
|
|
115 5PX -0.16846 0.01033 0.09659 -0.12564 -0.03022
|
|
116 5PY -0.07299 -0.27673 -0.15276 -0.18751 -0.11112
|
|
117 5PZ -0.49943 -0.14112 -0.23499 -0.34381 -0.12411
|
|
118 6PX 0.52181 -0.18928 0.05697 0.28221 -0.05654
|
|
119 6PY 0.26015 0.55441 0.10099 0.50075 0.17562
|
|
120 6PZ 1.39923 -0.01089 0.49834 0.71338 0.29588
|
|
121 7PX 0.28880 -0.05020 -0.01254 0.15219 0.01857
|
|
122 7PY 0.52124 0.37095 0.32256 0.18918 0.06684
|
|
123 7PZ 1.09136 0.15095 0.47159 0.55522 0.01694
|
|
124 8D 0 0.22039 -0.03299 0.04696 -0.02335 -0.07086
|
|
125 8D+1 -0.00316 0.07218 -0.09449 -0.03338 0.11546
|
|
126 8D-1 0.09303 0.11072 0.14857 0.00144 -0.02424
|
|
127 8D+2 -0.15052 0.09937 -0.05693 0.06926 -0.01595
|
|
128 8D-2 0.10265 0.04855 -0.04673 0.00847 0.05668
|
|
129 9D 0 -0.50324 0.09287 -0.28567 -0.18039 -0.02523
|
|
130 9D+1 -0.27095 0.06493 0.01053 -0.16561 0.02906
|
|
131 9D-1 -0.31439 -0.32017 -0.25179 -0.27885 -0.05905
|
|
132 9D+2 -0.00078 0.26295 0.22651 -0.04091 0.06175
|
|
133 9D-2 -0.06220 -0.04333 -0.07345 -0.01193 0.05033
|
|
134 10F 0 -0.09593 0.03196 0.07303 0.00803 0.00167
|
|
135 10F+1 0.01127 -0.00856 -0.03168 0.06719 -0.06178
|
|
136 10F-1 0.05238 -0.07029 0.03596 0.06390 0.04821
|
|
137 10F+2 0.09429 -0.18252 -0.22394 -0.01634 -0.02294
|
|
138 10F-2 -0.09399 -0.04731 0.06824 -0.01746 -0.08255
|
|
139 10F+3 0.09278 -0.08952 -0.09079 0.01958 0.05805
|
|
140 10F-3 0.02446 -0.11440 -0.02005 0.00891 -0.01774
|
|
141 4 H 1S 0.05153 -0.44413 -0.30872 0.42244 0.38526
|
|
142 2S -0.45314 1.23619 0.54682 -0.79151 -0.53362
|
|
143 3S -0.62030 2.57963 1.90443 -1.68040 -2.26266
|
|
144 4S -0.04087 0.17458 0.09159 0.01050 -0.04793
|
|
145 5PX -0.01100 -0.35056 -0.39456 0.26694 0.59498
|
|
146 5PY 0.07824 0.19190 0.22541 -0.17008 -0.03089
|
|
147 5PZ 0.19337 -0.17382 -0.04587 0.11092 0.14059
|
|
148 6PX -0.26097 0.92748 0.96137 -0.71925 -1.00807
|
|
149 6PY -0.05822 -0.78372 -0.05727 0.31860 0.36580
|
|
150 6PZ -0.35683 0.35048 0.32159 -0.28840 -0.20093
|
|
151 7PX -0.07323 0.82848 0.72054 -0.54454 -0.93990
|
|
152 7PY 0.15512 -0.42826 -0.39909 0.12992 0.18334
|
|
153 7PZ -0.18302 0.32455 0.16760 -0.18652 -0.27777
|
|
154 8D 0 -0.09678 -0.04931 0.19786 0.07211 -0.03677
|
|
155 8D+1 0.03849 -0.07973 0.04928 -0.02316 0.12996
|
|
156 8D-1 -0.11828 0.06040 0.10386 -0.04023 -0.00789
|
|
157 8D+2 -0.01302 -0.18461 0.04331 -0.08669 0.21574
|
|
158 8D-2 -0.00136 0.04399 0.12891 -0.04757 0.08633
|
|
159 9D 0 -0.11160 -0.06592 -0.33251 0.07024 0.20580
|
|
160 9D+1 -0.24069 0.21167 0.14202 -0.16492 -0.23064
|
|
161 9D-1 0.00245 -0.14914 -0.06194 0.02420 0.04140
|
|
162 9D+2 0.01170 0.17411 0.17855 -0.11954 -0.48417
|
|
163 9D-2 -0.06125 -0.40818 -0.29992 0.12182 0.30980
|
|
164 10F 0 -0.01791 -0.01327 0.04693 0.01252 0.00200
|
|
165 10F+1 -0.26547 0.01527 -0.03857 0.02451 0.04487
|
|
166 10F-1 0.00432 -0.01202 0.10191 -0.00704 0.00639
|
|
167 10F+2 -0.13265 0.01521 -0.04678 -0.04329 -0.02362
|
|
168 10F-2 -0.12807 0.02896 0.02763 -0.02553 -0.02336
|
|
169 10F+3 -0.02001 -0.04815 -0.19726 -0.02066 -0.01338
|
|
170 10F-3 -0.05258 0.06919 -0.15281 -0.00731 0.09422
|
|
171 5 H 1S 0.45553 -0.14014 -0.12667 0.43912 0.16247
|
|
172 2S -1.39106 -0.22672 0.20183 -0.69829 -0.25168
|
|
173 3S -3.02231 0.54015 1.01608 -1.60092 -0.41141
|
|
174 4S -0.12141 0.06178 0.09656 -0.04311 -0.00407
|
|
175 5PX 0.16846 0.01033 0.09659 0.12564 0.03022
|
|
176 5PY 0.07299 -0.27673 -0.15276 0.18751 0.11112
|
|
177 5PZ -0.49943 0.14112 0.23499 -0.34381 -0.12411
|
|
178 6PX -0.52181 -0.18928 0.05697 -0.28221 0.05654
|
|
179 6PY -0.26015 0.55441 0.10099 -0.50075 -0.17562
|
|
180 6PZ 1.39923 0.01089 -0.49834 0.71338 0.29588
|
|
181 7PX -0.28880 -0.05020 -0.01254 -0.15219 -0.01857
|
|
182 7PY -0.52124 0.37095 0.32256 -0.18918 -0.06684
|
|
183 7PZ 1.09136 -0.15095 -0.47159 0.55522 0.01694
|
|
184 8D 0 0.22039 0.03299 -0.04696 -0.02335 -0.07086
|
|
185 8D+1 0.00316 0.07218 -0.09449 0.03338 -0.11546
|
|
186 8D-1 -0.09303 0.11072 0.14857 -0.00144 0.02424
|
|
187 8D+2 -0.15052 -0.09937 0.05693 0.06926 -0.01595
|
|
188 8D-2 0.10265 -0.04855 0.04673 0.00847 0.05668
|
|
189 9D 0 -0.50324 -0.09287 0.28567 -0.18039 -0.02523
|
|
190 9D+1 0.27095 0.06493 0.01053 0.16561 -0.02906
|
|
191 9D-1 0.31439 -0.32017 -0.25179 0.27885 0.05905
|
|
192 9D+2 -0.00078 -0.26295 -0.22651 -0.04091 0.06175
|
|
193 9D-2 -0.06220 0.04333 0.07345 -0.01193 0.05033
|
|
194 10F 0 -0.09593 -0.03196 -0.07303 0.00803 0.00167
|
|
195 10F+1 -0.01127 -0.00856 -0.03168 -0.06719 0.06178
|
|
196 10F-1 -0.05238 -0.07029 0.03596 -0.06390 -0.04821
|
|
197 10F+2 0.09429 0.18252 0.22394 -0.01634 -0.02294
|
|
198 10F-2 -0.09399 0.04731 -0.06824 -0.01746 -0.08255
|
|
199 10F+3 -0.09278 -0.08952 -0.09079 -0.01958 -0.05805
|
|
200 10F-3 -0.02446 -0.11440 -0.02005 -0.00891 0.01774
|
|
201 6 H 1S 0.05153 0.44413 0.30872 0.42244 0.38526
|
|
202 2S -0.45314 -1.23619 -0.54682 -0.79151 -0.53362
|
|
203 3S -0.62030 -2.57963 -1.90443 -1.68040 -2.26266
|
|
204 4S -0.04087 -0.17458 -0.09159 0.01050 -0.04793
|
|
205 5PX 0.01100 -0.35056 -0.39456 -0.26694 -0.59498
|
|
206 5PY -0.07824 0.19190 0.22541 0.17008 0.03089
|
|
207 5PZ 0.19337 0.17382 0.04587 0.11092 0.14059
|
|
208 6PX 0.26097 0.92748 0.96137 0.71925 1.00807
|
|
209 6PY 0.05822 -0.78372 -0.05727 -0.31860 -0.36580
|
|
210 6PZ -0.35683 -0.35048 -0.32159 -0.28840 -0.20093
|
|
211 7PX 0.07323 0.82848 0.72054 0.54454 0.93990
|
|
212 7PY -0.15512 -0.42826 -0.39909 -0.12992 -0.18334
|
|
213 7PZ -0.18302 -0.32455 -0.16760 -0.18652 -0.27777
|
|
214 8D 0 -0.09678 0.04931 -0.19786 0.07211 -0.03677
|
|
215 8D+1 -0.03849 -0.07973 0.04928 0.02316 -0.12996
|
|
216 8D-1 0.11828 0.06040 0.10386 0.04023 0.00789
|
|
217 8D+2 -0.01302 0.18461 -0.04331 -0.08669 0.21574
|
|
218 8D-2 -0.00136 -0.04399 -0.12891 -0.04757 0.08633
|
|
219 9D 0 -0.11160 0.06592 0.33251 0.07024 0.20580
|
|
220 9D+1 0.24069 0.21167 0.14202 0.16492 0.23064
|
|
221 9D-1 -0.00245 -0.14914 -0.06194 -0.02420 -0.04140
|
|
222 9D+2 0.01170 -0.17411 -0.17855 -0.11954 -0.48417
|
|
223 9D-2 -0.06125 0.40818 0.29992 0.12182 0.30980
|
|
224 10F 0 -0.01791 0.01327 -0.04693 0.01252 0.00200
|
|
225 10F+1 0.26547 0.01527 -0.03857 -0.02451 -0.04487
|
|
226 10F-1 -0.00432 -0.01202 0.10191 0.00704 -0.00639
|
|
227 10F+2 -0.13265 -0.01521 0.04678 -0.04329 -0.02362
|
|
228 10F-2 -0.12807 -0.02896 -0.02763 -0.02553 -0.02336
|
|
229 10F+3 0.02001 -0.04815 -0.19726 0.02066 0.01338
|
|
230 10F-3 0.05258 0.06919 -0.15281 0.00731 -0.09422
|
|
211 212 213 214 215
|
|
V V V V V
|
|
Eigenvalues -- 11.19818 11.61022 11.80052 11.92408 11.98673
|
|
1 1 N 1S 0.00796 -0.06481 -0.02641 0.01472 -0.00032
|
|
2 2S 0.01099 0.15005 0.09783 -0.03895 -0.03886
|
|
3 3S -0.25581 1.71862 1.10327 -0.15919 -0.48926
|
|
4 4S 1.99961 -0.37490 -0.68499 -1.31598 0.64336
|
|
5 5S 1.52536 0.50508 0.20885 -0.88898 -0.54307
|
|
6 6PX -0.01591 -0.05701 -0.12677 -0.01829 -0.01174
|
|
7 6PY 0.14325 -0.42390 -0.35798 -0.27121 -0.17637
|
|
8 6PZ 0.02262 0.02865 0.16241 -0.01254 0.12644
|
|
9 7PX 0.05088 -0.30710 -0.05492 0.28225 0.17704
|
|
10 7PY -0.09114 0.73682 1.01841 -0.11476 -0.00476
|
|
11 7PZ 0.36734 0.25471 0.10301 -0.16057 -0.28762
|
|
12 8PX -0.17081 0.36780 0.73867 -0.57261 -0.28049
|
|
13 8PY -0.06593 2.05996 -0.34581 3.74870 1.72640
|
|
14 8PZ -0.48865 -0.00582 -1.09725 0.23930 -0.31019
|
|
15 9PX -0.17343 -0.15531 -0.06907 -0.07350 -0.04662
|
|
16 9PY 0.06108 0.28252 -0.14803 0.58021 0.26533
|
|
17 9PZ 0.29906 0.23899 0.01221 0.04335 -0.11485
|
|
18 10D 0 0.03741 -0.09646 0.25122 0.03405 0.26571
|
|
19 10D+1 -0.11858 0.14784 -0.19910 0.11859 0.05590
|
|
20 10D-1 -0.58758 0.18967 0.25902 -0.46995 -0.38535
|
|
21 10D+2 -0.05684 -0.07907 0.36117 -0.04159 0.19052
|
|
22 10D-2 0.11132 -0.13452 -0.30990 0.43803 0.23539
|
|
23 11D 0 0.07051 0.22840 -0.22654 -0.29244 -0.79773
|
|
24 11D+1 0.30410 0.19752 0.93470 -0.61776 -0.29053
|
|
25 11D-1 0.77305 -0.06633 -0.29479 0.86537 0.96707
|
|
26 11D+2 0.09470 0.37403 -0.27726 -0.31073 -0.87506
|
|
27 11D-2 -0.09814 0.01697 0.49910 -0.96448 -0.47710
|
|
28 12D 0 0.20190 0.12194 -0.33376 0.22863 -0.04105
|
|
29 12D+1 0.10553 0.05785 0.04986 -0.20605 -0.09814
|
|
30 12D-1 0.90950 0.19491 -0.16989 0.58073 0.32893
|
|
31 12D+2 -0.03522 0.17578 -0.48905 0.44203 0.13791
|
|
32 12D-2 0.14789 0.06163 0.06085 -0.35889 -0.23316
|
|
33 13F 0 -0.10818 -0.06297 -0.04055 -0.25985 -0.25245
|
|
34 13F+1 -0.10742 0.00742 0.01892 -0.08708 -0.14744
|
|
35 13F-1 -0.07637 -0.08404 -0.11000 0.00682 0.27750
|
|
36 13F+2 -0.14715 -0.06583 -0.13017 -0.09237 -0.17952
|
|
37 13F-2 -0.04222 0.20178 0.22838 0.06199 0.14977
|
|
38 13F+3 -0.08720 0.08862 0.01003 0.10413 0.13137
|
|
39 13F-3 -0.04190 -0.03496 -0.15119 0.11295 0.19027
|
|
40 14F 0 0.80218 -0.46329 -0.31307 -0.09132 -0.40095
|
|
41 14F+1 0.02740 -0.23106 -0.30891 0.08153 -0.22199
|
|
42 14F-1 0.00376 -0.30247 0.03886 0.13328 0.14573
|
|
43 14F+2 0.83030 0.01906 0.03240 0.00128 -0.45612
|
|
44 14F-2 -0.02428 0.00428 0.23962 0.17824 0.27149
|
|
45 14F+3 0.08575 0.25443 0.36512 0.28341 -0.07138
|
|
46 14F-3 0.06710 -0.43980 0.14805 0.25031 0.01943
|
|
47 15G 0 0.09331 -0.52859 -0.41350 -0.10564 -0.41322
|
|
48 15G+1 -0.03830 -0.00506 -0.07584 -0.07391 -0.26587
|
|
49 15G-1 -0.64222 -0.15826 -0.20849 0.20632 0.18139
|
|
50 15G+2 0.28870 0.00240 0.44494 -0.41621 -0.39982
|
|
51 15G-2 -0.12891 -0.06089 -0.06705 0.22462 0.20460
|
|
52 15G+3 0.12322 -0.08157 0.03199 -0.25936 -0.21039
|
|
53 15G-3 -0.37181 0.04242 -0.01052 -0.26022 -0.20247
|
|
54 15G+4 0.00717 -0.47276 -0.06468 -0.40240 -0.25406
|
|
55 15G-4 0.03491 0.15699 0.02703 -0.30453 -0.16435
|
|
56 2 N 1S -0.00796 0.06481 -0.02641 -0.01472 -0.00032
|
|
57 2S -0.01099 -0.15005 0.09783 0.03895 -0.03886
|
|
58 3S 0.25581 -1.71862 1.10327 0.15919 -0.48926
|
|
59 4S -1.99961 0.37490 -0.68499 1.31598 0.64336
|
|
60 5S -1.52536 -0.50508 0.20885 0.88898 -0.54307
|
|
61 6PX -0.01591 -0.05701 0.12677 -0.01829 0.01174
|
|
62 6PY 0.14325 -0.42390 0.35798 -0.27121 0.17637
|
|
63 6PZ -0.02262 -0.02865 0.16241 0.01254 0.12644
|
|
64 7PX 0.05088 -0.30710 0.05492 0.28225 -0.17704
|
|
65 7PY -0.09114 0.73682 -1.01841 -0.11476 0.00476
|
|
66 7PZ -0.36734 -0.25471 0.10301 0.16057 -0.28762
|
|
67 8PX -0.17081 0.36780 -0.73867 -0.57261 0.28049
|
|
68 8PY -0.06593 2.05996 0.34581 3.74870 -1.72640
|
|
69 8PZ 0.48865 0.00582 -1.09725 -0.23930 -0.31019
|
|
70 9PX -0.17343 -0.15531 0.06907 -0.07350 0.04662
|
|
71 9PY 0.06108 0.28252 0.14803 0.58021 -0.26533
|
|
72 9PZ -0.29906 -0.23899 0.01221 -0.04335 -0.11485
|
|
73 10D 0 -0.03741 0.09646 0.25122 -0.03405 0.26571
|
|
74 10D+1 -0.11858 0.14784 0.19910 0.11859 -0.05590
|
|
75 10D-1 -0.58758 0.18967 -0.25902 -0.46995 0.38535
|
|
76 10D+2 0.05684 0.07907 0.36117 0.04159 0.19052
|
|
77 10D-2 -0.11132 0.13452 -0.30990 -0.43803 0.23539
|
|
78 11D 0 -0.07051 -0.22840 -0.22654 0.29244 -0.79773
|
|
79 11D+1 0.30410 0.19752 -0.93470 -0.61776 0.29053
|
|
80 11D-1 0.77305 -0.06633 0.29479 0.86537 -0.96707
|
|
81 11D+2 -0.09470 -0.37403 -0.27726 0.31073 -0.87506
|
|
82 11D-2 0.09814 -0.01697 0.49910 0.96448 -0.47710
|
|
83 12D 0 -0.20190 -0.12194 -0.33376 -0.22863 -0.04105
|
|
84 12D+1 0.10553 0.05785 -0.04986 -0.20605 0.09814
|
|
85 12D-1 0.90950 0.19491 0.16989 0.58073 -0.32893
|
|
86 12D+2 0.03522 -0.17578 -0.48905 -0.44203 0.13791
|
|
87 12D-2 -0.14789 -0.06163 0.06085 0.35889 -0.23316
|
|
88 13F 0 0.10818 0.06297 -0.04055 0.25985 -0.25245
|
|
89 13F+1 -0.10742 0.00742 -0.01892 -0.08708 0.14744
|
|
90 13F-1 -0.07637 -0.08404 0.11000 0.00682 -0.27750
|
|
91 13F+2 0.14715 0.06583 -0.13017 0.09237 -0.17952
|
|
92 13F-2 0.04222 -0.20178 0.22838 -0.06199 0.14977
|
|
93 13F+3 -0.08720 0.08862 -0.01003 0.10413 -0.13137
|
|
94 13F-3 -0.04190 -0.03496 0.15119 0.11295 -0.19027
|
|
95 14F 0 -0.80218 0.46329 -0.31307 0.09132 -0.40095
|
|
96 14F+1 0.02740 -0.23106 0.30891 0.08153 0.22199
|
|
97 14F-1 0.00376 -0.30247 -0.03886 0.13328 -0.14573
|
|
98 14F+2 -0.83030 -0.01906 0.03240 -0.00128 -0.45612
|
|
99 14F-2 0.02428 -0.00428 0.23962 -0.17824 0.27149
|
|
100 14F+3 0.08575 0.25443 -0.36512 0.28341 0.07138
|
|
101 14F-3 0.06710 -0.43980 -0.14805 0.25031 -0.01943
|
|
102 15G 0 -0.09331 0.52859 -0.41350 0.10564 -0.41322
|
|
103 15G+1 -0.03830 -0.00506 0.07584 -0.07391 0.26587
|
|
104 15G-1 -0.64222 -0.15826 0.20849 0.20632 -0.18139
|
|
105 15G+2 -0.28870 -0.00240 0.44494 0.41621 -0.39982
|
|
106 15G-2 0.12891 0.06089 -0.06705 -0.22462 0.20460
|
|
107 15G+3 0.12322 -0.08157 -0.03199 -0.25936 0.21039
|
|
108 15G-3 -0.37181 0.04242 0.01052 -0.26022 0.20247
|
|
109 15G+4 -0.00717 0.47276 -0.06468 0.40240 -0.25406
|
|
110 15G-4 -0.03491 -0.15699 0.02703 0.30453 -0.16435
|
|
111 3 H 1S 0.33130 0.34439 0.18325 -0.09666 -0.01402
|
|
112 2S -0.45625 0.15520 0.63420 -0.56546 -0.26734
|
|
113 3S -1.69544 -1.65059 -0.32917 0.10341 0.45799
|
|
114 4S -0.03112 -0.00181 0.00572 -0.01895 0.03156
|
|
115 5PX -0.13242 -0.07722 0.02423 -0.05618 -0.04934
|
|
116 5PY -0.12500 -0.15197 -0.10272 0.35787 0.34957
|
|
117 5PZ -0.49774 -0.55878 -0.53969 0.24245 0.03562
|
|
118 6PX 0.14979 -0.11679 -0.56639 0.40561 0.29589
|
|
119 6PY 0.59947 -0.14323 -0.15900 -1.02953 -1.47354
|
|
120 6PZ 0.64183 0.96188 0.64887 0.08295 0.39740
|
|
121 7PX 0.22617 0.12322 -0.04015 0.10845 0.10164
|
|
122 7PY 0.08051 0.17968 0.05363 -0.42226 -0.51820
|
|
123 7PZ 0.59903 0.71169 0.23899 -0.01410 -0.04553
|
|
124 8D 0 0.27411 -0.17621 -0.12021 -0.20866 -0.37168
|
|
125 8D+1 0.11736 0.12735 0.29731 -0.17468 -0.15815
|
|
126 8D-1 -0.07001 0.14238 0.06170 0.26194 0.43643
|
|
127 8D+2 0.14608 -0.09983 -0.01290 -0.12366 -0.22335
|
|
128 8D-2 0.00021 0.15084 0.15339 -0.00944 0.08849
|
|
129 9D 0 -0.32179 -0.60733 -0.59865 -0.08444 -0.40326
|
|
130 9D+1 -0.15254 -0.09157 0.14782 -0.18620 -0.20729
|
|
131 9D-1 -0.31833 -0.17553 -0.17772 0.67134 0.84089
|
|
132 9D+2 -0.05927 0.06106 0.05290 -0.42314 -0.44603
|
|
133 9D-2 -0.10450 0.03430 0.10672 0.14852 0.11579
|
|
134 10F 0 -0.01240 0.29214 0.35585 0.19712 0.45303
|
|
135 10F+1 0.01541 0.04682 -0.10193 0.15164 0.18812
|
|
136 10F-1 0.05368 0.11572 0.20307 -0.32032 -0.38261
|
|
137 10F+2 -0.04001 0.01639 -0.04418 0.33229 0.40413
|
|
138 10F-2 0.00584 -0.09062 -0.14254 -0.08214 -0.10973
|
|
139 10F+3 -0.01288 0.04460 0.04069 0.07972 0.08553
|
|
140 10F-3 0.03723 -0.03090 -0.00813 0.05933 0.09378
|
|
141 4 H 1S 0.06606 0.40908 0.14549 -0.11119 -0.02525
|
|
142 2S -0.07947 0.26582 0.57158 -0.45167 -0.48208
|
|
143 3S -0.80495 -1.22738 -0.50096 -0.06664 0.28667
|
|
144 4S -0.08192 -0.03286 0.02589 -0.04661 0.01659
|
|
145 5PX 0.09157 0.66453 0.43126 -0.27352 -0.16560
|
|
146 5PY -0.12460 -0.14677 -0.10462 0.31963 0.20903
|
|
147 5PZ -0.02668 0.11420 -0.06956 0.07708 -0.00711
|
|
148 6PX -0.26903 -0.90906 -0.53581 -0.05065 -0.08038
|
|
149 6PY 0.21179 -0.08408 -0.10646 -1.21070 -0.61808
|
|
150 6PZ 0.14733 0.01918 0.67852 -0.48341 0.01107
|
|
151 7PX -0.23104 -0.52282 -0.28401 -0.00736 0.07518
|
|
152 7PY 0.23046 0.13017 0.07480 -0.29495 -0.35477
|
|
153 7PZ -0.08658 -0.10859 0.10592 -0.17691 0.06052
|
|
154 8D 0 -0.00255 0.01535 0.02957 -0.03481 0.05933
|
|
155 8D+1 0.12649 0.12290 0.32495 -0.18966 -0.00570
|
|
156 8D-1 -0.05371 -0.09566 -0.14532 -0.02094 -0.03002
|
|
157 8D+2 -0.01313 -0.11324 -0.12074 -0.28808 -0.16053
|
|
158 8D-2 -0.00911 -0.16916 -0.02790 -0.37880 -0.19597
|
|
159 9D 0 0.13076 0.31570 0.38741 -0.24861 -0.16618
|
|
160 9D+1 0.02774 -0.14024 0.28796 -0.24954 0.05641
|
|
161 9D-1 -0.00064 -0.02637 -0.08837 -0.08794 -0.16905
|
|
162 9D+2 0.01159 -0.51090 -0.37038 -0.11738 -0.16126
|
|
163 9D-2 0.18870 0.14535 0.13285 -0.75353 -0.46369
|
|
164 10F 0 -0.07822 0.02365 -0.14502 0.06690 -0.03837
|
|
165 10F+1 0.03147 0.16871 0.25634 -0.14236 -0.02424
|
|
166 10F-1 -0.04742 -0.02176 -0.07876 0.12147 0.08596
|
|
167 10F+2 0.04396 -0.05863 0.14026 -0.14010 -0.02653
|
|
168 10F-2 -0.04243 -0.07662 -0.13750 -0.05459 -0.12972
|
|
169 10F+3 0.08581 -0.25711 -0.19701 -0.26086 -0.22536
|
|
170 10F-3 0.05660 0.04411 0.15002 -0.44193 -0.23925
|
|
171 5 H 1S -0.33130 -0.34439 0.18325 0.09666 -0.01402
|
|
172 2S 0.45625 -0.15520 0.63420 0.56546 -0.26734
|
|
173 3S 1.69544 1.65059 -0.32917 -0.10341 0.45799
|
|
174 4S 0.03112 0.00181 0.00572 0.01895 0.03156
|
|
175 5PX -0.13242 -0.07722 -0.02423 -0.05618 0.04934
|
|
176 5PY -0.12500 -0.15197 0.10272 0.35787 -0.34957
|
|
177 5PZ 0.49774 0.55878 -0.53969 -0.24245 0.03562
|
|
178 6PX 0.14979 -0.11679 0.56639 0.40561 -0.29589
|
|
179 6PY 0.59947 -0.14323 0.15900 -1.02953 1.47354
|
|
180 6PZ -0.64183 -0.96188 0.64887 -0.08295 0.39740
|
|
181 7PX 0.22617 0.12322 0.04015 0.10845 -0.10164
|
|
182 7PY 0.08051 0.17968 -0.05363 -0.42226 0.51820
|
|
183 7PZ -0.59903 -0.71169 0.23899 0.01410 -0.04553
|
|
184 8D 0 -0.27411 0.17621 -0.12021 0.20866 -0.37168
|
|
185 8D+1 0.11736 0.12735 -0.29731 -0.17468 0.15815
|
|
186 8D-1 -0.07001 0.14238 -0.06170 0.26194 -0.43643
|
|
187 8D+2 -0.14608 0.09983 -0.01290 0.12366 -0.22335
|
|
188 8D-2 -0.00021 -0.15084 0.15339 0.00944 0.08849
|
|
189 9D 0 0.32179 0.60733 -0.59865 0.08444 -0.40326
|
|
190 9D+1 -0.15254 -0.09157 -0.14782 -0.18620 0.20729
|
|
191 9D-1 -0.31833 -0.17553 0.17772 0.67134 -0.84089
|
|
192 9D+2 0.05927 -0.06106 0.05290 0.42314 -0.44603
|
|
193 9D-2 0.10450 -0.03430 0.10672 -0.14852 0.11579
|
|
194 10F 0 0.01240 -0.29214 0.35585 -0.19712 0.45303
|
|
195 10F+1 0.01541 0.04682 0.10193 0.15164 -0.18812
|
|
196 10F-1 0.05368 0.11572 -0.20307 -0.32032 0.38261
|
|
197 10F+2 0.04001 -0.01639 -0.04418 -0.33229 0.40413
|
|
198 10F-2 -0.00584 0.09062 -0.14254 0.08214 -0.10973
|
|
199 10F+3 -0.01288 0.04460 -0.04069 0.07972 -0.08553
|
|
200 10F-3 0.03723 -0.03090 0.00813 0.05933 -0.09378
|
|
201 6 H 1S -0.06606 -0.40908 0.14549 0.11119 -0.02525
|
|
202 2S 0.07947 -0.26582 0.57158 0.45167 -0.48208
|
|
203 3S 0.80495 1.22738 -0.50096 0.06664 0.28667
|
|
204 4S 0.08192 0.03286 0.02589 0.04661 0.01659
|
|
205 5PX 0.09157 0.66453 -0.43126 -0.27352 0.16560
|
|
206 5PY -0.12460 -0.14677 0.10462 0.31963 -0.20903
|
|
207 5PZ 0.02668 -0.11420 -0.06956 -0.07708 -0.00711
|
|
208 6PX -0.26903 -0.90906 0.53581 -0.05065 0.08038
|
|
209 6PY 0.21179 -0.08408 0.10646 -1.21070 0.61808
|
|
210 6PZ -0.14733 -0.01918 0.67852 0.48341 0.01107
|
|
211 7PX -0.23104 -0.52282 0.28401 -0.00736 -0.07518
|
|
212 7PY 0.23046 0.13017 -0.07480 -0.29495 0.35477
|
|
213 7PZ 0.08658 0.10859 0.10592 0.17691 0.06052
|
|
214 8D 0 0.00255 -0.01535 0.02957 0.03481 0.05933
|
|
215 8D+1 0.12649 0.12290 -0.32495 -0.18966 0.00570
|
|
216 8D-1 -0.05371 -0.09566 0.14532 -0.02094 0.03002
|
|
217 8D+2 0.01313 0.11324 -0.12074 0.28808 -0.16053
|
|
218 8D-2 0.00911 0.16916 -0.02790 0.37880 -0.19597
|
|
219 9D 0 -0.13076 -0.31570 0.38741 0.24861 -0.16618
|
|
220 9D+1 0.02774 -0.14024 -0.28796 -0.24954 -0.05641
|
|
221 9D-1 -0.00064 -0.02637 0.08837 -0.08794 0.16905
|
|
222 9D+2 -0.01159 0.51090 -0.37038 0.11738 -0.16126
|
|
223 9D-2 -0.18870 -0.14535 0.13285 0.75353 -0.46369
|
|
224 10F 0 0.07822 -0.02365 -0.14502 -0.06690 -0.03837
|
|
225 10F+1 0.03147 0.16871 -0.25634 -0.14236 0.02424
|
|
226 10F-1 -0.04742 -0.02176 0.07876 0.12147 -0.08596
|
|
227 10F+2 -0.04396 0.05863 0.14026 0.14010 -0.02653
|
|
228 10F-2 0.04243 0.07662 -0.13750 0.05459 -0.12972
|
|
229 10F+3 0.08581 -0.25711 0.19701 -0.26086 0.22536
|
|
230 10F-3 0.05660 0.04411 -0.15002 -0.44193 0.23925
|
|
216 217 218 219 220
|
|
V V V V V
|
|
Eigenvalues -- 12.04483 12.09057 12.10218 12.14278 12.22101
|
|
1 1 N 1S 0.03175 0.04240 -0.01906 0.00304 -0.00787
|
|
2 2S -0.04336 -0.08715 0.03154 -0.00852 0.00870
|
|
3 3S -0.45315 -0.95267 0.36341 -0.06322 0.10143
|
|
4 4S -0.25643 0.15775 -0.02934 -0.15633 0.01868
|
|
5 5S -1.19531 -0.64153 0.62481 -0.30219 -0.14481
|
|
6 6PX -0.27319 -0.23674 0.07764 0.05693 -0.05177
|
|
7 6PY 0.03884 0.21603 0.00964 -0.00929 -0.14084
|
|
8 6PZ 0.14385 0.19504 -0.23236 0.10017 -0.11168
|
|
9 7PX 0.28155 0.56926 -0.53823 0.23485 -0.32781
|
|
10 7PY -0.16978 -0.71409 0.06656 0.00930 0.22434
|
|
11 7PZ -0.58691 -0.65846 0.15017 0.08438 -0.12357
|
|
12 8PX 1.80106 0.82129 0.64017 -0.93461 1.51902
|
|
13 8PY -0.08767 0.18322 -0.30479 -0.04817 0.63952
|
|
14 8PZ 0.08474 -0.27298 1.65953 -1.02295 1.34122
|
|
15 9PX 0.27801 0.19145 -0.00089 -0.03138 0.14269
|
|
16 9PY 0.06044 0.03085 -0.07027 -0.01794 0.11551
|
|
17 9PZ -0.13805 -0.10488 0.24287 -0.11393 0.14771
|
|
18 10D 0 0.00137 -0.19353 -0.07716 -0.13726 -0.27139
|
|
19 10D+1 -0.62512 -0.77566 0.50489 -0.07340 0.10691
|
|
20 10D-1 -0.18433 -0.03818 -0.32516 0.35736 0.07066
|
|
21 10D+2 0.08164 -0.25902 -0.00388 0.03123 0.36980
|
|
22 10D-2 -0.24186 -0.06900 -0.25086 0.43021 0.23702
|
|
23 11D 0 -0.35604 0.12286 -0.13935 0.65614 0.36758
|
|
24 11D+1 1.36773 1.59139 -1.17229 0.16737 -0.23570
|
|
25 11D-1 0.11053 -0.28454 0.66102 -0.78624 -0.39342
|
|
26 11D+2 -0.13704 0.17042 0.34677 -0.34067 -0.67834
|
|
27 11D-2 0.57908 0.31228 0.38596 -0.91192 -0.87081
|
|
28 12D 0 0.12908 0.25850 0.25417 0.05118 0.48730
|
|
29 12D+1 0.43289 0.71270 -0.37989 0.02416 -0.13324
|
|
30 12D-1 0.05480 -0.06288 0.38734 -0.31430 0.08511
|
|
31 12D+2 -0.11854 0.28298 -0.13384 0.03980 -0.38884
|
|
32 12D-2 0.35338 0.30115 0.30218 -0.22684 -0.20736
|
|
33 13F 0 -0.25659 -0.04658 -0.21790 0.35973 -0.01940
|
|
34 13F+1 0.21594 -0.00029 0.28907 -0.31545 0.15682
|
|
35 13F-1 -0.06885 0.00917 -0.05383 0.01808 -0.18629
|
|
36 13F+2 0.12684 0.02155 0.21928 -0.19595 0.21917
|
|
37 13F-2 0.20000 0.16209 -0.15249 0.00988 0.06150
|
|
38 13F+3 0.01278 0.05394 -0.15898 0.21582 0.30961
|
|
39 13F-3 0.08730 0.12787 -0.00350 0.03747 0.28843
|
|
40 14F 0 -0.20344 0.28045 -0.28772 0.60235 0.06016
|
|
41 14F+1 0.46852 0.48993 0.34465 -0.54046 0.24267
|
|
42 14F-1 0.12971 -0.04643 0.00398 -0.12948 -0.13543
|
|
43 14F+2 0.17052 -0.08883 0.61585 -0.30756 0.60417
|
|
44 14F-2 0.51192 0.62950 -0.37109 -0.00924 0.13124
|
|
45 14F+3 0.00669 -0.04693 -0.08377 0.28245 0.73955
|
|
46 14F-3 0.10912 -0.02019 -0.22686 0.14098 0.37309
|
|
47 15G 0 -0.28112 -0.17543 0.23572 0.12473 0.18904
|
|
48 15G+1 0.30466 0.10849 0.44162 -0.42469 0.40339
|
|
49 15G-1 -0.05306 0.07199 -0.17041 0.14882 0.02612
|
|
50 15G+2 0.26870 0.17198 -0.19940 0.14120 0.20537
|
|
51 15G-2 0.39379 0.23506 0.17582 -0.33254 0.23282
|
|
52 15G+3 -0.15040 0.04085 -0.20582 0.23061 -0.26724
|
|
53 15G-3 0.13623 -0.07533 0.33976 -0.38313 0.08476
|
|
54 15G+4 -0.05871 -0.10798 0.07930 -0.16406 -0.52279
|
|
55 15G-4 0.01812 -0.05214 0.07643 -0.06576 -0.21484
|
|
56 2 N 1S -0.03175 0.04240 0.01906 0.00304 -0.00787
|
|
57 2S 0.04336 -0.08715 -0.03154 -0.00852 0.00870
|
|
58 3S 0.45315 -0.95267 -0.36341 -0.06322 0.10143
|
|
59 4S 0.25643 0.15775 0.02934 -0.15633 0.01868
|
|
60 5S 1.19531 -0.64153 -0.62481 -0.30219 -0.14481
|
|
61 6PX -0.27319 0.23674 0.07764 -0.05693 0.05177
|
|
62 6PY 0.03884 -0.21603 0.00964 0.00929 0.14084
|
|
63 6PZ -0.14385 0.19504 0.23236 0.10017 -0.11168
|
|
64 7PX 0.28155 -0.56926 -0.53823 -0.23485 0.32781
|
|
65 7PY -0.16978 0.71409 0.06656 -0.00930 -0.22434
|
|
66 7PZ 0.58691 -0.65846 -0.15017 0.08438 -0.12357
|
|
67 8PX 1.80106 -0.82129 0.64017 0.93461 -1.51902
|
|
68 8PY -0.08767 -0.18322 -0.30479 0.04817 -0.63952
|
|
69 8PZ -0.08474 -0.27298 -1.65953 -1.02295 1.34122
|
|
70 9PX 0.27801 -0.19145 -0.00089 0.03138 -0.14269
|
|
71 9PY 0.06044 -0.03085 -0.07027 0.01794 -0.11551
|
|
72 9PZ 0.13805 -0.10488 -0.24287 -0.11393 0.14771
|
|
73 10D 0 -0.00137 -0.19353 0.07716 -0.13726 -0.27139
|
|
74 10D+1 -0.62512 0.77566 0.50489 0.07340 -0.10691
|
|
75 10D-1 -0.18433 0.03818 -0.32516 -0.35736 -0.07066
|
|
76 10D+2 -0.08164 -0.25902 0.00388 0.03123 0.36980
|
|
77 10D-2 0.24186 -0.06900 0.25086 0.43021 0.23702
|
|
78 11D 0 0.35604 0.12286 0.13935 0.65614 0.36758
|
|
79 11D+1 1.36773 -1.59139 -1.17229 -0.16737 0.23570
|
|
80 11D-1 0.11053 0.28454 0.66102 0.78624 0.39342
|
|
81 11D+2 0.13704 0.17042 -0.34677 -0.34067 -0.67834
|
|
82 11D-2 -0.57908 0.31228 -0.38596 -0.91192 -0.87081
|
|
83 12D 0 -0.12908 0.25850 -0.25417 0.05118 0.48730
|
|
84 12D+1 0.43289 -0.71270 -0.37989 -0.02416 0.13324
|
|
85 12D-1 0.05480 0.06288 0.38734 0.31430 -0.08511
|
|
86 12D+2 0.11854 0.28298 0.13384 0.03980 -0.38884
|
|
87 12D-2 -0.35338 0.30115 -0.30218 -0.22684 -0.20736
|
|
88 13F 0 0.25659 -0.04658 0.21790 0.35973 -0.01940
|
|
89 13F+1 0.21594 0.00029 0.28907 0.31545 -0.15682
|
|
90 13F-1 -0.06885 -0.00917 -0.05383 -0.01808 0.18629
|
|
91 13F+2 -0.12684 0.02155 -0.21928 -0.19595 0.21917
|
|
92 13F-2 -0.20000 0.16209 0.15249 0.00988 0.06150
|
|
93 13F+3 0.01278 -0.05394 -0.15898 -0.21582 -0.30961
|
|
94 13F-3 0.08730 -0.12787 -0.00350 -0.03747 -0.28843
|
|
95 14F 0 0.20344 0.28045 0.28772 0.60235 0.06016
|
|
96 14F+1 0.46852 -0.48993 0.34465 0.54046 -0.24267
|
|
97 14F-1 0.12971 0.04643 0.00398 0.12948 0.13543
|
|
98 14F+2 -0.17052 -0.08883 -0.61585 -0.30756 0.60417
|
|
99 14F-2 -0.51192 0.62950 0.37109 -0.00924 0.13124
|
|
100 14F+3 0.00669 0.04693 -0.08377 -0.28245 -0.73955
|
|
101 14F-3 0.10912 0.02019 -0.22686 -0.14098 -0.37309
|
|
102 15G 0 0.28112 -0.17543 -0.23572 0.12473 0.18904
|
|
103 15G+1 0.30466 -0.10849 0.44162 0.42469 -0.40339
|
|
104 15G-1 -0.05306 -0.07199 -0.17041 -0.14882 -0.02612
|
|
105 15G+2 -0.26870 0.17198 0.19940 0.14120 0.20537
|
|
106 15G-2 -0.39379 0.23506 -0.17582 -0.33254 0.23282
|
|
107 15G+3 -0.15040 -0.04085 -0.20582 -0.23061 0.26724
|
|
108 15G-3 0.13623 0.07533 0.33976 0.38313 -0.08476
|
|
109 15G+4 0.05871 -0.10798 -0.07930 -0.16406 -0.52279
|
|
110 15G-4 -0.01812 -0.05214 -0.07643 -0.06576 -0.21484
|
|
111 3 H 1S -0.15899 -0.22056 0.05304 0.04043 0.03514
|
|
112 2S -0.52197 -0.57089 -0.49646 0.41291 -0.73925
|
|
113 3S 0.53948 0.63160 -0.70701 0.40128 -0.36144
|
|
114 4S 0.00423 0.00529 -0.02930 0.02862 -0.00245
|
|
115 5PX 0.38451 0.37485 -0.02027 -0.19050 0.04731
|
|
116 5PY 0.17143 0.09549 0.05295 -0.18528 -0.03235
|
|
117 5PZ 0.28037 0.41457 0.11016 -0.09965 0.23179
|
|
118 6PX -1.52243 -1.22152 -0.04951 0.88847 -0.28509
|
|
119 6PY -0.21865 0.12651 0.14583 0.45533 0.63314
|
|
120 6PZ 0.09728 -0.23889 0.09036 -0.39686 -0.09746
|
|
121 7PX -0.48554 -0.40186 0.10656 0.17737 -0.02424
|
|
122 7PY -0.10438 -0.09361 0.06931 0.04982 0.10829
|
|
123 7PZ -0.08441 -0.19497 0.17913 -0.18496 -0.00281
|
|
124 8D 0 -0.26055 -0.10411 -0.04461 0.29136 0.02312
|
|
125 8D+1 0.50885 0.32259 0.06888 -0.30998 0.16030
|
|
126 8D-1 -0.01755 -0.07995 -0.09310 -0.04883 -0.25932
|
|
127 8D+2 0.13049 0.14719 0.06876 -0.03356 0.12778
|
|
128 8D-2 0.21456 0.12401 0.05808 -0.18457 0.00909
|
|
129 9D 0 -0.17359 0.11237 0.07028 0.30471 0.30722
|
|
130 9D+1 0.92204 0.78175 0.05492 -0.48287 0.25665
|
|
131 9D-1 0.16236 0.08980 0.01046 -0.25094 -0.16610
|
|
132 9D+2 0.14362 0.19466 -0.01852 -0.01750 0.14618
|
|
133 9D-2 0.42538 0.25168 -0.03089 -0.31022 0.00877
|
|
134 10F 0 0.27578 0.04180 -0.01499 -0.32232 -0.17339
|
|
135 10F+1 -0.53553 -0.43487 -0.06221 0.25915 -0.20361
|
|
136 10F-1 -0.02872 -0.06232 -0.02054 0.06436 0.06938
|
|
137 10F+2 -0.17216 -0.19459 -0.02334 0.03021 -0.15158
|
|
138 10F-2 -0.42299 -0.27905 -0.02703 0.29149 -0.02755
|
|
139 10F+3 0.08726 0.00624 0.00611 -0.08963 -0.03562
|
|
140 10F-3 -0.10257 -0.09755 -0.00841 0.06678 -0.05190
|
|
141 4 H 1S -0.08722 -0.19422 0.11659 -0.06776 0.01164
|
|
142 2S 0.41945 -0.27631 0.77232 -0.46066 0.78975
|
|
143 3S 1.05733 0.91480 -0.05386 0.13302 0.45740
|
|
144 4S 0.06324 0.00518 0.00423 0.00286 0.02403
|
|
145 5PX 0.04275 -0.29025 0.29218 -0.19822 0.32350
|
|
146 5PY -0.03710 0.05100 -0.21079 0.19078 0.22018
|
|
147 5PZ -0.09879 -0.29817 0.35492 -0.21819 0.12811
|
|
148 6PX 0.18184 0.22279 0.24723 -0.23125 -0.31607
|
|
149 6PY -0.11192 -0.05914 0.39442 -0.53355 -1.50921
|
|
150 6PZ 0.29578 0.91553 -1.49312 1.04436 -0.51409
|
|
151 7PX 0.30503 0.29404 0.06784 0.00599 -0.02666
|
|
152 7PY -0.09991 -0.12024 0.17929 -0.14741 -0.45278
|
|
153 7PZ 0.21466 0.33873 -0.39450 0.27288 -0.13622
|
|
154 8D 0 -0.02848 0.11861 -0.23987 0.20994 -0.10542
|
|
155 8D+1 0.04721 0.23157 -0.54196 0.38562 -0.23542
|
|
156 8D-1 -0.00506 -0.05618 0.19915 -0.17938 -0.05495
|
|
157 8D+2 0.00914 -0.03036 0.20266 -0.23819 -0.25084
|
|
158 8D-2 -0.09259 -0.04594 0.02401 -0.11681 -0.55545
|
|
159 9D 0 0.06245 0.05768 -0.18051 0.09651 -0.04520
|
|
160 9D+1 0.17138 0.59392 -0.91699 0.63921 -0.43194
|
|
161 9D-1 -0.05384 -0.15159 0.35520 -0.28329 -0.07916
|
|
162 9D+2 -0.02226 0.09788 0.14024 -0.16747 -0.69243
|
|
163 9D-2 -0.03288 -0.11881 0.30574 -0.35729 -0.70751
|
|
164 10F 0 -0.04270 -0.20595 0.39389 -0.29191 0.14355
|
|
165 10F+1 0.04486 0.13778 -0.27904 0.22163 -0.02289
|
|
166 10F-1 0.00889 -0.01078 0.04559 -0.01057 0.16748
|
|
167 10F+2 0.05582 0.27676 -0.43004 0.26200 -0.32847
|
|
168 10F-2 -0.04765 -0.17227 0.36680 -0.30036 -0.05297
|
|
169 10F+3 -0.04581 0.02598 0.15217 -0.22404 -0.57279
|
|
170 10F-3 -0.02004 -0.09609 0.12585 -0.17944 -0.31242
|
|
171 5 H 1S 0.15899 -0.22056 -0.05304 0.04043 0.03514
|
|
172 2S 0.52197 -0.57089 0.49646 0.41291 -0.73925
|
|
173 3S -0.53948 0.63160 0.70701 0.40128 -0.36144
|
|
174 4S -0.00423 0.00529 0.02930 0.02862 -0.00245
|
|
175 5PX 0.38451 -0.37485 -0.02027 0.19050 -0.04731
|
|
176 5PY 0.17143 -0.09549 0.05295 0.18528 0.03235
|
|
177 5PZ -0.28037 0.41457 -0.11016 -0.09965 0.23179
|
|
178 6PX -1.52243 1.22152 -0.04951 -0.88847 0.28509
|
|
179 6PY -0.21865 -0.12651 0.14583 -0.45533 -0.63314
|
|
180 6PZ -0.09728 -0.23889 -0.09036 -0.39686 -0.09746
|
|
181 7PX -0.48554 0.40186 0.10656 -0.17737 0.02424
|
|
182 7PY -0.10438 0.09361 0.06931 -0.04982 -0.10829
|
|
183 7PZ 0.08441 -0.19497 -0.17913 -0.18496 -0.00281
|
|
184 8D 0 0.26055 -0.10411 0.04461 0.29136 0.02312
|
|
185 8D+1 0.50885 -0.32259 0.06888 0.30998 -0.16030
|
|
186 8D-1 -0.01755 0.07995 -0.09310 0.04883 0.25932
|
|
187 8D+2 -0.13049 0.14719 -0.06876 -0.03356 0.12778
|
|
188 8D-2 -0.21456 0.12401 -0.05808 -0.18457 0.00909
|
|
189 9D 0 0.17359 0.11237 -0.07028 0.30471 0.30722
|
|
190 9D+1 0.92204 -0.78175 0.05492 0.48287 -0.25665
|
|
191 9D-1 0.16236 -0.08980 0.01046 0.25094 0.16610
|
|
192 9D+2 -0.14362 0.19466 0.01852 -0.01750 0.14618
|
|
193 9D-2 -0.42538 0.25168 0.03089 -0.31022 0.00877
|
|
194 10F 0 -0.27578 0.04180 0.01499 -0.32232 -0.17339
|
|
195 10F+1 -0.53553 0.43487 -0.06221 -0.25915 0.20361
|
|
196 10F-1 -0.02872 0.06232 -0.02054 -0.06436 -0.06938
|
|
197 10F+2 0.17216 -0.19459 0.02334 0.03021 -0.15158
|
|
198 10F-2 0.42299 -0.27905 0.02703 0.29149 -0.02755
|
|
199 10F+3 0.08726 -0.00624 0.00611 0.08963 0.03562
|
|
200 10F-3 -0.10257 0.09755 -0.00841 -0.06678 0.05190
|
|
201 6 H 1S 0.08722 -0.19422 -0.11659 -0.06776 0.01164
|
|
202 2S -0.41945 -0.27631 -0.77232 -0.46066 0.78975
|
|
203 3S -1.05733 0.91480 0.05386 0.13302 0.45740
|
|
204 4S -0.06324 0.00518 -0.00423 0.00286 0.02403
|
|
205 5PX 0.04275 0.29025 0.29218 0.19822 -0.32350
|
|
206 5PY -0.03710 -0.05100 -0.21079 -0.19078 -0.22018
|
|
207 5PZ 0.09879 -0.29817 -0.35492 -0.21819 0.12811
|
|
208 6PX 0.18184 -0.22279 0.24723 0.23125 0.31607
|
|
209 6PY -0.11192 0.05914 0.39442 0.53355 1.50921
|
|
210 6PZ -0.29578 0.91553 1.49312 1.04436 -0.51409
|
|
211 7PX 0.30503 -0.29404 0.06784 -0.00599 0.02666
|
|
212 7PY -0.09991 0.12024 0.17929 0.14741 0.45278
|
|
213 7PZ -0.21466 0.33873 0.39450 0.27288 -0.13622
|
|
214 8D 0 0.02848 0.11861 0.23987 0.20994 -0.10542
|
|
215 8D+1 0.04721 -0.23157 -0.54196 -0.38562 0.23542
|
|
216 8D-1 -0.00506 0.05618 0.19915 0.17938 0.05495
|
|
217 8D+2 -0.00914 -0.03036 -0.20266 -0.23819 -0.25084
|
|
218 8D-2 0.09259 -0.04594 -0.02401 -0.11681 -0.55545
|
|
219 9D 0 -0.06245 0.05768 0.18051 0.09651 -0.04520
|
|
220 9D+1 0.17138 -0.59392 -0.91699 -0.63921 0.43194
|
|
221 9D-1 -0.05384 0.15159 0.35520 0.28329 0.07916
|
|
222 9D+2 0.02226 0.09788 -0.14024 -0.16747 -0.69243
|
|
223 9D-2 0.03288 -0.11881 -0.30574 -0.35729 -0.70751
|
|
224 10F 0 0.04270 -0.20595 -0.39389 -0.29191 0.14355
|
|
225 10F+1 0.04486 -0.13778 -0.27904 -0.22163 0.02289
|
|
226 10F-1 0.00889 0.01078 0.04559 0.01057 -0.16748
|
|
227 10F+2 -0.05582 0.27676 0.43004 0.26200 -0.32847
|
|
228 10F-2 0.04765 -0.17227 -0.36680 -0.30036 -0.05297
|
|
229 10F+3 -0.04581 -0.02598 0.15217 0.22404 0.57279
|
|
230 10F-3 -0.02004 0.09609 0.12585 0.17944 0.31242
|
|
221 222 223 224 225
|
|
V V V V V
|
|
Eigenvalues -- 12.26443 12.61762 12.65400 12.89513 13.92336
|
|
1 1 N 1S 0.00060 0.00676 -0.01023 -0.02091 -0.08140
|
|
2 2S 0.00272 -0.00024 0.00776 0.03170 -0.10042
|
|
3 3S -0.00671 0.02742 0.09951 1.13944 -2.80832
|
|
4 4S 0.16745 -0.24713 0.09629 -3.57267 11.04479
|
|
5 5S 0.23348 0.15627 0.18857 -2.20048 4.00389
|
|
6 6PX -0.06991 0.14806 0.21128 0.01502 0.30114
|
|
7 6PY 0.01270 0.03076 0.00797 -0.04097 -0.46487
|
|
8 6PZ -0.04938 0.18223 0.14639 -0.00592 -0.41351
|
|
9 7PX -0.11060 -0.94349 -1.17523 0.14883 -0.50755
|
|
10 7PY 0.00055 -0.15071 -0.01896 -0.79460 1.02814
|
|
11 7PZ -0.10473 -1.02167 -0.91713 -0.18515 0.83121
|
|
12 8PX 0.94343 1.41818 1.59608 -0.57924 -2.81470
|
|
13 8PY -0.19748 0.42974 -0.03576 5.06111 2.63399
|
|
14 8PZ 0.88932 1.31383 1.38818 0.62422 3.06487
|
|
15 9PX 0.20886 0.14457 0.26882 -0.13837 -0.59082
|
|
16 9PY -0.02555 0.03516 0.03187 1.29695 0.42517
|
|
17 9PZ 0.27511 0.24031 0.27419 0.15265 0.60272
|
|
18 10D 0 -0.39295 -0.68684 -0.71962 -0.60670 -0.06949
|
|
19 10D+1 0.01337 -0.01465 -0.00713 -0.18497 -0.34513
|
|
20 10D-1 0.23410 -0.41127 -0.38995 -0.05318 -0.18276
|
|
21 10D+2 0.19489 0.45086 0.46535 -1.02600 -0.22812
|
|
22 10D-2 0.35942 -0.33670 -0.36536 -0.01462 0.13463
|
|
23 11D 0 0.81344 0.89364 0.97826 1.25169 0.67625
|
|
24 11D+1 -0.02483 -0.01528 0.06659 0.32798 1.47826
|
|
25 11D-1 -0.76255 0.53080 0.51152 -0.00186 0.91966
|
|
26 11D+2 -0.35194 -0.64917 -0.52853 2.07168 1.28929
|
|
27 11D-2 -1.09345 0.42409 0.50496 0.15363 -0.55102
|
|
28 12D 0 0.59057 0.97078 0.81943 1.06407 0.15036
|
|
29 12D+1 0.01732 0.00885 -0.02491 0.22878 0.90636
|
|
30 12D-1 0.01021 0.71313 0.45773 0.09786 0.63997
|
|
31 12D+2 -0.37879 -0.56960 -0.57165 1.71685 0.62896
|
|
32 12D-2 -0.09921 0.56799 0.23179 -0.03706 -0.44947
|
|
33 13F 0 0.18978 0.03520 0.09184 0.07808 0.34407
|
|
34 13F+1 0.05289 -0.18854 -0.09040 0.03941 0.35338
|
|
35 13F-1 -0.19200 -0.00584 0.00708 -0.10443 0.15381
|
|
36 13F+2 0.22533 -0.15292 -0.15330 0.02725 -0.19195
|
|
37 13F-2 -0.00840 -0.03224 -0.00307 -0.03938 0.21536
|
|
38 13F+3 0.18414 -0.00820 -0.06168 -0.04782 -0.20303
|
|
39 13F-3 0.20645 -0.02684 -0.03689 -0.16951 0.09936
|
|
40 14F 0 0.62111 0.33420 0.29862 0.36464 0.59254
|
|
41 14F+1 0.15711 -0.45971 -0.47183 0.21270 0.85594
|
|
42 14F-1 -0.30994 0.82187 0.64284 -0.50308 0.61693
|
|
43 14F+2 0.67104 -0.40314 -0.24699 -0.12684 -0.29522
|
|
44 14F-2 -0.01661 0.03335 -0.05888 0.05568 0.51619
|
|
45 14F+3 0.73091 0.15576 0.05287 -0.23780 -0.49540
|
|
46 14F-3 0.36950 -0.59979 -0.52236 -0.78985 0.73998
|
|
47 15G 0 0.45739 -0.03653 -0.07496 -0.00187 0.19449
|
|
48 15G+1 0.28619 -0.08274 -0.02633 0.01627 0.05858
|
|
49 15G-1 -0.01778 0.31659 0.24153 0.06340 0.33720
|
|
50 15G+2 0.38838 -0.02710 -0.02182 -0.25579 -0.09857
|
|
51 15G-2 0.04813 -0.17368 -0.12898 0.02995 0.26389
|
|
52 15G+3 -0.07278 0.01862 0.02909 0.08561 0.05924
|
|
53 15G-3 0.01214 -0.08773 -0.05406 0.00784 -0.09491
|
|
54 15G+4 -0.47925 -0.02163 0.05298 -0.18114 0.18805
|
|
55 15G-4 -0.06188 0.24043 0.27628 -0.00978 -0.23473
|
|
56 2 N 1S -0.00060 -0.00676 -0.01023 0.02091 -0.08140
|
|
57 2S -0.00272 0.00024 0.00776 -0.03170 -0.10042
|
|
58 3S 0.00671 -0.02742 0.09951 -1.13944 -2.80832
|
|
59 4S -0.16745 0.24713 0.09629 3.57267 11.04479
|
|
60 5S -0.23348 -0.15627 0.18857 2.20048 4.00389
|
|
61 6PX -0.06991 0.14806 -0.21128 0.01502 -0.30114
|
|
62 6PY 0.01270 0.03076 -0.00797 -0.04097 0.46487
|
|
63 6PZ 0.04938 -0.18223 0.14639 0.00592 -0.41351
|
|
64 7PX -0.11060 -0.94349 1.17523 0.14883 0.50755
|
|
65 7PY 0.00055 -0.15071 0.01896 -0.79460 -1.02814
|
|
66 7PZ 0.10473 1.02167 -0.91713 0.18515 0.83121
|
|
67 8PX 0.94343 1.41818 -1.59608 -0.57924 2.81470
|
|
68 8PY -0.19748 0.42974 0.03576 5.06111 -2.63399
|
|
69 8PZ -0.88932 -1.31383 1.38818 -0.62422 3.06487
|
|
70 9PX 0.20886 0.14457 -0.26882 -0.13837 0.59082
|
|
71 9PY -0.02555 0.03516 -0.03187 1.29695 -0.42517
|
|
72 9PZ -0.27511 -0.24031 0.27419 -0.15265 0.60272
|
|
73 10D 0 0.39295 0.68684 -0.71962 0.60670 -0.06949
|
|
74 10D+1 0.01337 -0.01465 0.00713 -0.18497 0.34513
|
|
75 10D-1 0.23410 -0.41127 0.38995 -0.05318 0.18276
|
|
76 10D+2 -0.19489 -0.45086 0.46535 1.02600 -0.22812
|
|
77 10D-2 -0.35942 0.33670 -0.36536 0.01462 0.13463
|
|
78 11D 0 -0.81344 -0.89364 0.97826 -1.25169 0.67625
|
|
79 11D+1 -0.02483 -0.01528 -0.06659 0.32798 -1.47826
|
|
80 11D-1 -0.76255 0.53080 -0.51152 -0.00186 -0.91966
|
|
81 11D+2 0.35194 0.64917 -0.52853 -2.07168 1.28929
|
|
82 11D-2 1.09345 -0.42409 0.50496 -0.15363 -0.55102
|
|
83 12D 0 -0.59057 -0.97078 0.81943 -1.06407 0.15036
|
|
84 12D+1 0.01732 0.00885 0.02491 0.22878 -0.90636
|
|
85 12D-1 0.01021 0.71313 -0.45773 0.09786 -0.63997
|
|
86 12D+2 0.37879 0.56960 -0.57165 -1.71685 0.62896
|
|
87 12D-2 0.09921 -0.56799 0.23179 0.03706 -0.44947
|
|
88 13F 0 -0.18978 -0.03520 0.09184 -0.07808 0.34407
|
|
89 13F+1 0.05289 -0.18854 0.09040 0.03941 -0.35338
|
|
90 13F-1 -0.19200 -0.00584 -0.00708 -0.10443 -0.15381
|
|
91 13F+2 -0.22533 0.15292 -0.15330 -0.02725 -0.19195
|
|
92 13F-2 0.00840 0.03224 -0.00307 0.03938 0.21536
|
|
93 13F+3 0.18414 -0.00820 0.06168 -0.04782 0.20303
|
|
94 13F-3 0.20645 -0.02684 0.03689 -0.16951 -0.09936
|
|
95 14F 0 -0.62111 -0.33420 0.29862 -0.36464 0.59254
|
|
96 14F+1 0.15711 -0.45971 0.47183 0.21270 -0.85594
|
|
97 14F-1 -0.30994 0.82187 -0.64284 -0.50308 -0.61693
|
|
98 14F+2 -0.67104 0.40314 -0.24699 0.12684 -0.29522
|
|
99 14F-2 0.01661 -0.03335 -0.05888 -0.05568 0.51619
|
|
100 14F+3 0.73091 0.15576 -0.05287 -0.23780 0.49540
|
|
101 14F-3 0.36950 -0.59979 0.52236 -0.78985 -0.73998
|
|
102 15G 0 -0.45739 0.03653 -0.07496 0.00187 0.19449
|
|
103 15G+1 0.28619 -0.08274 0.02633 0.01627 -0.05858
|
|
104 15G-1 -0.01778 0.31659 -0.24153 0.06340 -0.33720
|
|
105 15G+2 -0.38838 0.02710 -0.02182 0.25579 -0.09857
|
|
106 15G-2 -0.04813 0.17368 -0.12898 -0.02995 0.26389
|
|
107 15G+3 -0.07278 0.01862 -0.02909 0.08561 -0.05924
|
|
108 15G-3 0.01214 -0.08773 0.05406 0.00784 0.09491
|
|
109 15G+4 0.47925 0.02163 0.05298 0.18114 0.18805
|
|
110 15G-4 0.06188 -0.24043 0.27628 0.00978 -0.23473
|
|
111 3 H 1S -0.00157 -0.08355 -0.04554 0.02205 0.78353
|
|
112 2S -0.42686 -1.53575 -1.33849 -0.77443 -4.12068
|
|
113 3S -0.61721 -0.44194 -0.59064 -0.41991 -4.50953
|
|
114 4S -0.07668 -0.03992 -0.07001 -0.13471 -0.18243
|
|
115 5PX -0.00112 0.03723 0.04158 0.06725 0.04574
|
|
116 5PY -0.14533 0.27719 0.16601 0.02127 0.05956
|
|
117 5PZ 0.19968 0.48690 0.46631 0.25932 0.04518
|
|
118 6PX -0.03416 0.66234 0.55540 0.01205 0.46481
|
|
119 6PY 1.24925 -0.40554 -0.13185 0.34307 1.08895
|
|
120 6PZ -0.46135 -0.09795 -0.07377 -0.07813 2.78293
|
|
121 7PX 0.03001 0.10515 0.08666 0.07477 0.30686
|
|
122 7PY 0.32812 -0.21042 0.01064 0.12314 0.63753
|
|
123 7PZ 0.04346 0.00933 0.00601 0.07808 1.56577
|
|
124 8D 0 0.30719 0.04396 -0.01413 0.01908 -0.52048
|
|
125 8D+1 0.09947 -0.27557 -0.23355 -0.02018 -0.19178
|
|
126 8D-1 -0.43093 0.06216 0.01735 -0.12764 -0.44971
|
|
127 8D+2 0.20442 -0.12198 -0.12531 0.09125 0.08366
|
|
128 8D-2 -0.11167 -0.06009 -0.04911 -0.04468 -0.10464
|
|
129 9D 0 0.54406 0.29296 0.35994 0.25572 -0.61470
|
|
130 9D+1 0.12097 -0.16010 -0.10794 0.06881 -0.15498
|
|
131 9D-1 -0.52510 0.53479 0.36002 -0.05035 -0.48708
|
|
132 9D+2 0.24836 -0.20364 -0.05659 0.04590 0.03276
|
|
133 9D-2 -0.14789 -0.06907 -0.07024 -0.03844 -0.03950
|
|
134 10F 0 -0.44954 -0.19001 -0.20226 -0.18348 0.13186
|
|
135 10F+1 -0.17208 0.06149 0.02557 -0.09434 0.04065
|
|
136 10F-1 0.21413 -0.34699 -0.29833 -0.02929 0.24135
|
|
137 10F+2 -0.24862 0.20773 0.15104 -0.09101 -0.05675
|
|
138 10F-2 0.12339 -0.00378 -0.01419 0.01300 0.06082
|
|
139 10F+3 -0.09541 0.01353 0.00835 -0.03121 -0.00368
|
|
140 10F-3 -0.04062 0.10109 0.06149 -0.01919 -0.01279
|
|
141 4 H 1S 0.02929 0.03577 0.10391 -0.01051 0.68707
|
|
142 2S 0.53102 1.54049 1.43233 -0.60522 -3.96488
|
|
143 3S 0.41415 0.30669 0.20204 -0.45938 -4.27660
|
|
144 4S 0.06706 0.02092 0.05178 -0.11958 -0.12141
|
|
145 5PX 0.25181 0.48906 0.53871 -0.24415 -0.11499
|
|
146 5PY 0.10041 -0.17291 -0.20070 0.00881 0.04821
|
|
147 5PZ 0.01638 0.03458 0.04638 -0.07547 -0.02733
|
|
148 6PX -0.36579 -0.05185 -0.16973 0.08747 -2.55080
|
|
149 6PY -1.13852 0.27754 0.35645 0.35447 0.77246
|
|
150 6PZ -0.07954 0.64880 0.52875 0.10876 -0.56175
|
|
151 7PX 0.02321 -0.02352 -0.12396 -0.13715 -1.43289
|
|
152 7PY -0.25553 0.15872 0.09248 0.13558 0.47361
|
|
153 7PZ 0.00320 0.05982 0.00503 -0.01556 -0.40371
|
|
154 8D 0 -0.04442 0.10730 0.08961 0.07098 0.27294
|
|
155 8D+1 -0.09763 0.29210 0.25118 0.00506 -0.18764
|
|
156 8D-1 -0.09843 -0.02913 -0.01049 0.03593 0.08475
|
|
157 8D+2 -0.26067 0.06387 0.04263 0.05830 -0.44002
|
|
158 8D-2 -0.46950 0.04897 0.10854 0.13957 0.32715
|
|
159 9D 0 0.10499 0.27029 0.29950 -0.06550 0.25592
|
|
160 9D+1 -0.14633 0.16032 0.07900 0.12404 -0.22520
|
|
161 9D-1 -0.12593 -0.07327 -0.05458 0.00188 0.08361
|
|
162 9D+2 -0.44650 -0.26721 -0.29553 0.21041 -0.40623
|
|
163 9D-2 -0.52608 0.38175 0.49324 0.13709 0.26892
|
|
164 10F 0 0.05201 -0.03064 -0.01479 -0.04585 0.02807
|
|
165 10F+1 0.07509 0.26607 0.27076 -0.03000 0.06917
|
|
166 10F-1 0.07462 -0.13263 -0.15865 -0.02718 -0.03623
|
|
167 10F+2 -0.17450 0.07180 0.03400 0.09055 -0.02620
|
|
168 10F-2 -0.11801 -0.00063 0.03453 0.00721 0.05675
|
|
169 10F+3 -0.38839 -0.13249 -0.07856 0.20347 -0.08715
|
|
170 10F-3 -0.31131 0.25217 0.33834 0.03394 0.12343
|
|
171 5 H 1S 0.00157 0.08355 -0.04554 -0.02205 0.78353
|
|
172 2S 0.42686 1.53575 -1.33849 0.77443 -4.12068
|
|
173 3S 0.61721 0.44194 -0.59064 0.41991 -4.50953
|
|
174 4S 0.07668 0.03992 -0.07001 0.13471 -0.18243
|
|
175 5PX -0.00112 0.03723 -0.04158 0.06725 -0.04574
|
|
176 5PY -0.14533 0.27719 -0.16601 0.02127 -0.05956
|
|
177 5PZ -0.19968 -0.48690 0.46631 -0.25932 0.04518
|
|
178 6PX -0.03416 0.66234 -0.55540 0.01205 -0.46481
|
|
179 6PY 1.24925 -0.40554 0.13185 0.34307 -1.08895
|
|
180 6PZ 0.46135 0.09795 -0.07377 0.07813 2.78293
|
|
181 7PX 0.03001 0.10515 -0.08666 0.07477 -0.30686
|
|
182 7PY 0.32812 -0.21042 -0.01064 0.12314 -0.63753
|
|
183 7PZ -0.04346 -0.00933 0.00601 -0.07808 1.56577
|
|
184 8D 0 -0.30719 -0.04396 -0.01413 -0.01908 -0.52048
|
|
185 8D+1 0.09947 -0.27557 0.23355 -0.02018 0.19178
|
|
186 8D-1 -0.43093 0.06216 -0.01735 -0.12764 0.44971
|
|
187 8D+2 -0.20442 0.12198 -0.12531 -0.09125 0.08366
|
|
188 8D-2 0.11167 0.06009 -0.04911 0.04468 -0.10464
|
|
189 9D 0 -0.54406 -0.29296 0.35994 -0.25572 -0.61470
|
|
190 9D+1 0.12097 -0.16010 0.10794 0.06881 0.15498
|
|
191 9D-1 -0.52510 0.53479 -0.36002 -0.05035 0.48708
|
|
192 9D+2 -0.24836 0.20364 -0.05659 -0.04590 0.03276
|
|
193 9D-2 0.14789 0.06907 -0.07024 0.03844 -0.03950
|
|
194 10F 0 0.44954 0.19001 -0.20226 0.18348 0.13186
|
|
195 10F+1 -0.17208 0.06149 -0.02557 -0.09434 -0.04065
|
|
196 10F-1 0.21413 -0.34699 0.29833 -0.02929 -0.24135
|
|
197 10F+2 0.24862 -0.20773 0.15104 0.09101 -0.05675
|
|
198 10F-2 -0.12339 0.00378 -0.01419 -0.01300 0.06082
|
|
199 10F+3 -0.09541 0.01353 -0.00835 -0.03121 0.00368
|
|
200 10F-3 -0.04062 0.10109 -0.06149 -0.01919 0.01279
|
|
201 6 H 1S -0.02929 -0.03577 0.10391 0.01051 0.68707
|
|
202 2S -0.53102 -1.54049 1.43233 0.60522 -3.96488
|
|
203 3S -0.41415 -0.30669 0.20204 0.45938 -4.27660
|
|
204 4S -0.06706 -0.02092 0.05178 0.11958 -0.12141
|
|
205 5PX 0.25181 0.48906 -0.53871 -0.24415 0.11499
|
|
206 5PY 0.10041 -0.17291 0.20070 0.00881 -0.04821
|
|
207 5PZ -0.01638 -0.03458 0.04638 0.07547 -0.02733
|
|
208 6PX -0.36579 -0.05185 0.16973 0.08747 2.55080
|
|
209 6PY -1.13852 0.27754 -0.35645 0.35447 -0.77246
|
|
210 6PZ 0.07954 -0.64880 0.52875 -0.10876 -0.56175
|
|
211 7PX 0.02321 -0.02352 0.12396 -0.13715 1.43289
|
|
212 7PY -0.25553 0.15872 -0.09248 0.13558 -0.47361
|
|
213 7PZ -0.00320 -0.05982 0.00503 0.01556 -0.40371
|
|
214 8D 0 0.04442 -0.10730 0.08961 -0.07098 0.27294
|
|
215 8D+1 -0.09763 0.29210 -0.25118 0.00506 0.18764
|
|
216 8D-1 -0.09843 -0.02913 0.01049 0.03593 -0.08475
|
|
217 8D+2 0.26067 -0.06387 0.04263 -0.05830 -0.44002
|
|
218 8D-2 0.46950 -0.04897 0.10854 -0.13957 0.32715
|
|
219 9D 0 -0.10499 -0.27029 0.29950 0.06550 0.25592
|
|
220 9D+1 -0.14633 0.16032 -0.07900 0.12404 0.22520
|
|
221 9D-1 -0.12593 -0.07327 0.05458 0.00188 -0.08361
|
|
222 9D+2 0.44650 0.26721 -0.29553 -0.21041 -0.40623
|
|
223 9D-2 0.52608 -0.38175 0.49324 -0.13709 0.26892
|
|
224 10F 0 -0.05201 0.03064 -0.01479 0.04585 0.02807
|
|
225 10F+1 0.07509 0.26607 -0.27076 -0.03000 -0.06917
|
|
226 10F-1 0.07462 -0.13263 0.15865 -0.02718 0.03623
|
|
227 10F+2 0.17450 -0.07180 0.03400 -0.09055 -0.02620
|
|
228 10F-2 0.11801 0.00063 0.03453 -0.00721 0.05675
|
|
229 10F+3 -0.38839 -0.13249 0.07856 0.20347 0.08715
|
|
230 10F-3 -0.31131 0.25217 -0.33834 0.03394 -0.12343
|
|
226 227 228 229 230
|
|
V V V V V
|
|
Eigenvalues -- 14.01850 14.55773 14.59193 34.15358 35.12504
|
|
1 1 N 1S -0.07222 0.00628 -0.00212 1.58959 -1.61981
|
|
2 2S -0.12547 0.00756 0.00699 2.39945 -2.50288
|
|
3 3S -3.86501 0.25508 0.23122 2.91068 -4.16488
|
|
4 4S 14.16110 -1.09247 -0.66060 -1.63940 5.06845
|
|
5 5S 6.51704 -0.42561 -0.32724 -0.07512 2.41859
|
|
6 6PX 0.42944 -0.67496 0.62950 0.07877 -0.05935
|
|
7 6PY -0.35663 -0.00800 0.05662 -0.02512 0.03599
|
|
8 6PZ -0.32423 -0.58025 0.62901 -0.07245 0.05738
|
|
9 7PX -0.91634 1.67891 -1.58861 -0.45185 0.39280
|
|
10 7PY 1.11070 0.02958 -0.14627 0.25695 0.10273
|
|
11 7PZ 0.56745 1.46149 -1.54676 0.42315 -0.37321
|
|
12 8PX -2.94477 3.43732 -3.39673 0.46675 -0.57639
|
|
13 8PY -0.82369 -0.09437 -0.26319 -0.45052 -2.84592
|
|
14 8PZ 2.97355 2.82970 -3.56469 -0.48529 0.79637
|
|
15 9PX -0.60766 0.57526 -0.75389 -0.02281 -0.00642
|
|
16 9PY -0.59779 -0.01310 -0.01655 -0.25710 -0.80188
|
|
17 9PZ 0.64688 0.37379 -0.86669 0.02607 -0.04625
|
|
18 10D 0 -0.00506 -0.25663 0.25302 0.01053 0.05676
|
|
19 10D+1 -0.36217 0.02145 0.02344 0.05051 -0.07584
|
|
20 10D-1 -0.18435 -0.14158 0.16161 0.04747 -0.04349
|
|
21 10D+2 0.02751 0.18341 -0.17626 0.04323 0.09888
|
|
22 10D-2 0.08886 -0.16760 0.12838 -0.04224 0.03141
|
|
23 11D 0 0.22094 1.92328 -1.98900 0.02183 -0.23411
|
|
24 11D+1 1.55019 -0.09342 -0.09197 0.12343 0.00859
|
|
25 11D-1 0.82263 1.09612 -1.18688 0.02840 0.00039
|
|
26 11D+2 0.61376 -1.37956 1.31462 0.00332 -0.51343
|
|
27 11D-2 -0.53499 1.14441 -1.00021 0.02288 0.03427
|
|
28 12D 0 0.00255 0.79359 -0.95360 -0.02521 -0.39844
|
|
29 12D+1 0.92618 -0.09134 -0.05885 -0.25034 0.30318
|
|
30 12D-1 0.57080 0.47085 -0.50666 -0.29617 0.16930
|
|
31 12D+2 -0.27898 -0.61859 0.64544 -0.18831 -0.74927
|
|
32 12D-2 -0.24903 0.58950 -0.37710 0.28308 -0.08433
|
|
33 13F 0 0.30718 0.09057 -0.11455 0.08682 -0.07444
|
|
34 13F+1 0.36727 -0.06803 0.03184 0.10399 -0.08496
|
|
35 13F-1 0.21504 0.37878 -0.40979 0.10820 -0.04820
|
|
36 13F+2 -0.18398 0.06299 -0.05193 -0.04209 0.05742
|
|
37 13F-2 0.21358 0.01327 -0.03768 0.05048 -0.04914
|
|
38 13F+3 -0.22711 0.18191 -0.18935 -0.06031 0.05937
|
|
39 13F-3 0.25590 -0.29363 0.26251 0.12040 -0.05474
|
|
40 14F 0 0.88696 0.08173 -0.20579 -0.12540 0.29360
|
|
41 14F+1 0.72245 -0.22295 0.06646 -0.22513 0.23042
|
|
42 14F-1 0.80972 0.46416 -0.53975 -0.20983 0.46632
|
|
43 14F+2 -0.43078 -0.01596 0.03077 0.04665 -0.14399
|
|
44 14F-2 0.40984 -0.04579 -0.06719 -0.08100 0.05796
|
|
45 14F+3 -0.50904 0.22639 -0.18723 0.10431 -0.19735
|
|
46 14F-3 0.81873 -0.44803 0.28690 -0.27843 0.50454
|
|
47 15G 0 0.26057 -0.04742 -0.01415 -0.03562 0.09961
|
|
48 15G+1 -0.00349 0.16146 -0.18307 -0.01176 0.00607
|
|
49 15G-1 0.26429 0.17092 -0.19689 -0.04147 0.03072
|
|
50 15G+2 -0.07515 0.00748 -0.01799 -0.00021 0.03991
|
|
51 15G-2 0.22054 -0.01885 -0.03168 -0.02065 0.01357
|
|
52 15G+3 0.07361 -0.07946 0.09040 -0.00237 0.02276
|
|
53 15G-3 -0.10868 0.07055 -0.03783 0.00727 0.01102
|
|
54 15G+4 0.21342 -0.04489 0.05406 -0.03513 0.11572
|
|
55 15G-4 -0.20799 0.20438 -0.17744 0.03944 -0.01746
|
|
56 2 N 1S 0.07222 0.00628 0.00212 1.58959 1.61981
|
|
57 2S 0.12547 0.00756 -0.00699 2.39945 2.50288
|
|
58 3S 3.86501 0.25508 -0.23122 2.91068 4.16488
|
|
59 4S -14.16110 -1.09247 0.66060 -1.63940 -5.06845
|
|
60 5S -6.51704 -0.42561 0.32724 -0.07512 -2.41859
|
|
61 6PX 0.42944 0.67496 0.62950 -0.07877 -0.05935
|
|
62 6PY -0.35663 0.00800 0.05662 0.02512 0.03599
|
|
63 6PZ 0.32423 -0.58025 -0.62901 -0.07245 -0.05738
|
|
64 7PX -0.91634 -1.67891 -1.58861 0.45185 0.39280
|
|
65 7PY 1.11070 -0.02958 -0.14627 -0.25695 0.10273
|
|
66 7PZ -0.56745 1.46149 1.54676 0.42315 0.37321
|
|
67 8PX -2.94477 -3.43732 -3.39673 -0.46675 -0.57639
|
|
68 8PY -0.82369 0.09437 -0.26319 0.45052 -2.84592
|
|
69 8PZ -2.97355 2.82970 3.56469 -0.48529 -0.79637
|
|
70 9PX -0.60766 -0.57526 -0.75389 0.02281 -0.00642
|
|
71 9PY -0.59779 0.01310 -0.01655 0.25710 -0.80188
|
|
72 9PZ -0.64688 0.37379 0.86669 0.02607 0.04625
|
|
73 10D 0 0.00506 -0.25663 -0.25302 0.01053 -0.05676
|
|
74 10D+1 -0.36217 -0.02145 0.02344 -0.05051 -0.07584
|
|
75 10D-1 -0.18435 0.14158 0.16161 -0.04747 -0.04349
|
|
76 10D+2 -0.02751 0.18341 0.17626 0.04323 -0.09888
|
|
77 10D-2 -0.08886 -0.16760 -0.12838 -0.04224 -0.03141
|
|
78 11D 0 -0.22094 1.92328 1.98900 0.02183 0.23411
|
|
79 11D+1 1.55019 0.09342 -0.09197 -0.12343 0.00859
|
|
80 11D-1 0.82263 -1.09612 -1.18688 -0.02840 0.00039
|
|
81 11D+2 -0.61376 -1.37956 -1.31462 0.00332 0.51343
|
|
82 11D-2 0.53499 1.14441 1.00021 0.02288 -0.03427
|
|
83 12D 0 -0.00255 0.79359 0.95360 -0.02521 0.39844
|
|
84 12D+1 0.92618 0.09134 -0.05885 0.25034 0.30318
|
|
85 12D-1 0.57080 -0.47085 -0.50666 0.29617 0.16930
|
|
86 12D+2 0.27898 -0.61859 -0.64544 -0.18831 0.74927
|
|
87 12D-2 0.24903 0.58950 0.37710 0.28308 0.08433
|
|
88 13F 0 -0.30718 0.09057 0.11455 0.08682 0.07444
|
|
89 13F+1 0.36727 0.06803 0.03184 -0.10399 -0.08496
|
|
90 13F-1 0.21504 -0.37878 -0.40979 -0.10820 -0.04820
|
|
91 13F+2 0.18398 0.06299 0.05193 -0.04209 -0.05742
|
|
92 13F-2 -0.21358 0.01327 0.03768 0.05048 0.04914
|
|
93 13F+3 -0.22711 -0.18191 -0.18935 0.06031 0.05937
|
|
94 13F-3 0.25590 0.29363 0.26251 -0.12040 -0.05474
|
|
95 14F 0 -0.88696 0.08173 0.20579 -0.12540 -0.29360
|
|
96 14F+1 0.72245 0.22295 0.06646 0.22513 0.23042
|
|
97 14F-1 0.80972 -0.46416 -0.53975 0.20983 0.46632
|
|
98 14F+2 0.43078 -0.01596 -0.03077 0.04665 0.14399
|
|
99 14F-2 -0.40984 -0.04579 0.06719 -0.08100 -0.05796
|
|
100 14F+3 -0.50904 -0.22639 -0.18723 -0.10431 -0.19735
|
|
101 14F-3 0.81873 0.44803 0.28690 0.27843 0.50454
|
|
102 15G 0 -0.26057 -0.04742 0.01415 -0.03562 -0.09961
|
|
103 15G+1 -0.00349 -0.16146 -0.18307 0.01176 0.00607
|
|
104 15G-1 0.26429 -0.17092 -0.19689 0.04147 0.03072
|
|
105 15G+2 0.07515 0.00748 0.01799 -0.00021 -0.03991
|
|
106 15G-2 -0.22054 -0.01885 0.03168 -0.02065 -0.01357
|
|
107 15G+3 0.07361 0.07946 0.09040 0.00237 0.02276
|
|
108 15G-3 -0.10868 -0.07055 -0.03783 -0.00727 0.01102
|
|
109 15G+4 -0.21342 -0.04489 -0.05406 -0.03513 -0.11572
|
|
110 15G-4 0.20799 0.20438 0.17744 0.03944 0.01746
|
|
111 3 H 1S 0.76338 0.71379 -0.81677 0.09081 -0.05637
|
|
112 2S -4.08471 -2.80526 3.38181 0.43753 -0.58083
|
|
113 3S -4.42913 -2.57906 3.86084 -0.07429 -0.49188
|
|
114 4S -0.07766 0.00650 0.15890 0.00621 0.03108
|
|
115 5PX 0.04019 -0.04097 0.03954 -0.01511 0.00818
|
|
116 5PY -0.04856 0.00130 0.01147 -0.07706 0.01129
|
|
117 5PZ 0.05977 -0.03947 0.04993 -0.14739 0.12584
|
|
118 6PX 0.57474 0.71733 -0.77832 0.01754 0.07496
|
|
119 6PY 1.35161 0.74722 -0.98430 0.11674 0.15191
|
|
120 6PZ 2.57680 2.09003 -2.52362 0.22306 -0.03241
|
|
121 7PX 0.46579 0.27773 -0.34339 0.03766 0.03291
|
|
122 7PY 0.66736 0.33970 -0.63651 0.21061 0.13445
|
|
123 7PZ 1.38698 0.98784 -1.37224 0.05367 0.07867
|
|
124 8D 0 -0.46288 -0.45178 0.51277 -0.06640 0.04405
|
|
125 8D+1 -0.19554 -0.27822 0.28895 -0.02934 0.02163
|
|
126 8D-1 -0.41383 -0.33712 0.39657 -0.03387 0.02887
|
|
127 8D+2 0.07337 0.01708 -0.02519 -0.00763 -0.01325
|
|
128 8D-2 -0.09558 -0.09886 0.10994 -0.00320 -0.00274
|
|
129 9D 0 -0.38693 -0.54898 0.62168 -0.24225 0.28789
|
|
130 9D+1 -0.23502 -0.37227 0.39099 -0.10025 0.03081
|
|
131 9D-1 -0.51174 -0.37727 0.50163 -0.24837 0.04489
|
|
132 9D+2 0.16312 0.00011 -0.06819 0.12007 0.05272
|
|
133 9D-2 -0.17997 -0.13867 0.16410 -0.08411 -0.00872
|
|
134 10F 0 0.07348 0.16824 -0.18525 0.12553 -0.14405
|
|
135 10F+1 0.04736 0.21133 -0.20742 0.10290 -0.09324
|
|
136 10F-1 0.15500 0.22726 -0.25663 0.16264 -0.15149
|
|
137 10F+2 -0.07741 -0.01672 0.03749 -0.06846 0.02439
|
|
138 10F-2 0.08264 0.12510 -0.13519 0.06619 -0.03276
|
|
139 10F+3 -0.03074 -0.01964 0.03459 -0.02547 0.00992
|
|
140 10F-3 -0.02418 0.02405 -0.01714 -0.00285 -0.01573
|
|
141 4 H 1S 0.78801 -0.83274 0.74792 0.08933 -0.07392
|
|
142 2S -4.00477 3.57193 -3.00116 0.45547 -0.51189
|
|
143 3S -4.38358 3.51341 -3.46459 0.05972 -0.16620
|
|
144 4S -0.16235 0.01903 -0.16833 0.00301 0.02588
|
|
145 5PX -0.02778 -0.01953 0.04479 0.15428 -0.14033
|
|
146 5PY -0.06977 -0.03745 -0.01933 -0.06458 -0.00724
|
|
147 5PZ -0.05377 -0.02627 0.03547 -0.00017 -0.01043
|
|
148 6PX -2.83395 2.67109 -2.35296 -0.22258 0.12359
|
|
149 6PY 1.15318 -0.65262 0.69781 0.13583 0.16409
|
|
150 6PZ -0.39295 0.74388 -0.67760 0.07788 -0.01584
|
|
151 7PX -1.50534 1.34199 -1.28420 -0.02907 0.04775
|
|
152 7PY 0.60539 -0.33827 0.52101 0.15727 0.01916
|
|
153 7PZ -0.28021 0.33208 -0.28513 -0.00452 0.08998
|
|
154 8D 0 0.33974 -0.30705 0.25897 0.03977 -0.03118
|
|
155 8D+1 -0.18523 0.29829 -0.27029 -0.01824 0.02257
|
|
156 8D-1 0.07296 -0.07809 0.06831 -0.00907 0.00349
|
|
157 8D+2 -0.47290 0.51799 -0.47201 -0.05540 0.05594
|
|
158 8D-2 0.35123 -0.31767 0.28718 0.03610 -0.02514
|
|
159 9D 0 0.41140 -0.34370 0.35600 0.21379 -0.12831
|
|
160 9D+1 -0.14647 0.39484 -0.34939 -0.03889 0.09776
|
|
161 9D-1 0.07571 -0.11579 0.11664 0.06138 -0.02761
|
|
162 9D+2 -0.44331 0.66186 -0.52855 -0.21528 0.29036
|
|
163 9D-2 0.55766 -0.29163 0.42160 0.24063 -0.03439
|
|
164 10F 0 0.04747 -0.14787 0.13591 0.06800 -0.07002
|
|
165 10F+1 0.15924 -0.15237 0.14768 0.14218 -0.11848
|
|
166 10F-1 -0.08407 0.01704 -0.04519 -0.03467 0.01516
|
|
167 10F+2 -0.03566 0.17181 -0.15348 -0.06238 0.07510
|
|
168 10F-2 0.06054 -0.09732 0.09806 0.03957 -0.03697
|
|
169 10F+3 -0.07543 0.23238 -0.15737 -0.09696 0.13607
|
|
170 10F-3 0.18987 -0.19396 0.21585 0.15635 -0.12517
|
|
171 5 H 1S -0.76338 0.71379 0.81677 0.09081 0.05637
|
|
172 2S 4.08471 -2.80526 -3.38181 0.43753 0.58083
|
|
173 3S 4.42913 -2.57906 -3.86084 -0.07429 0.49188
|
|
174 4S 0.07766 0.00650 -0.15890 0.00621 -0.03108
|
|
175 5PX 0.04019 0.04097 0.03954 0.01511 0.00818
|
|
176 5PY -0.04856 -0.00130 0.01147 0.07706 0.01129
|
|
177 5PZ -0.05977 -0.03947 -0.04993 -0.14739 -0.12584
|
|
178 6PX 0.57474 -0.71733 -0.77832 -0.01754 0.07496
|
|
179 6PY 1.35161 -0.74722 -0.98430 -0.11674 0.15191
|
|
180 6PZ -2.57680 2.09003 2.52362 0.22306 0.03241
|
|
181 7PX 0.46579 -0.27773 -0.34339 -0.03766 0.03291
|
|
182 7PY 0.66736 -0.33970 -0.63651 -0.21061 0.13445
|
|
183 7PZ -1.38698 0.98784 1.37224 0.05367 -0.07867
|
|
184 8D 0 0.46288 -0.45178 -0.51277 -0.06640 -0.04405
|
|
185 8D+1 -0.19554 0.27822 0.28895 0.02934 0.02163
|
|
186 8D-1 -0.41383 0.33712 0.39657 0.03387 0.02887
|
|
187 8D+2 -0.07337 0.01708 0.02519 -0.00763 0.01325
|
|
188 8D-2 0.09558 -0.09886 -0.10994 -0.00320 0.00274
|
|
189 9D 0 0.38693 -0.54898 -0.62168 -0.24225 -0.28789
|
|
190 9D+1 -0.23502 0.37227 0.39099 0.10025 0.03081
|
|
191 9D-1 -0.51174 0.37727 0.50163 0.24837 0.04489
|
|
192 9D+2 -0.16312 0.00011 0.06819 0.12007 -0.05272
|
|
193 9D-2 0.17997 -0.13867 -0.16410 -0.08411 0.00872
|
|
194 10F 0 -0.07348 0.16824 0.18525 0.12553 0.14405
|
|
195 10F+1 0.04736 -0.21133 -0.20742 -0.10290 -0.09324
|
|
196 10F-1 0.15500 -0.22726 -0.25663 -0.16264 -0.15149
|
|
197 10F+2 0.07741 -0.01672 -0.03749 -0.06846 -0.02439
|
|
198 10F-2 -0.08264 0.12510 0.13519 0.06619 0.03276
|
|
199 10F+3 -0.03074 0.01964 0.03459 0.02547 0.00992
|
|
200 10F-3 -0.02418 -0.02405 -0.01714 0.00285 -0.01573
|
|
201 6 H 1S -0.78801 -0.83274 -0.74792 0.08933 0.07392
|
|
202 2S 4.00477 3.57193 3.00116 0.45547 0.51189
|
|
203 3S 4.38358 3.51341 3.46459 0.05972 0.16620
|
|
204 4S 0.16235 0.01903 0.16833 0.00301 -0.02588
|
|
205 5PX -0.02778 0.01953 0.04479 -0.15428 -0.14033
|
|
206 5PY -0.06977 0.03745 -0.01933 0.06458 -0.00724
|
|
207 5PZ 0.05377 -0.02627 -0.03547 -0.00017 0.01043
|
|
208 6PX -2.83395 -2.67109 -2.35296 0.22258 0.12359
|
|
209 6PY 1.15318 0.65262 0.69781 -0.13583 0.16409
|
|
210 6PZ 0.39295 0.74388 0.67760 0.07788 0.01584
|
|
211 7PX -1.50534 -1.34199 -1.28420 0.02907 0.04775
|
|
212 7PY 0.60539 0.33827 0.52101 -0.15727 0.01916
|
|
213 7PZ 0.28021 0.33208 0.28513 -0.00452 -0.08998
|
|
214 8D 0 -0.33974 -0.30705 -0.25897 0.03977 0.03118
|
|
215 8D+1 -0.18523 -0.29829 -0.27029 0.01824 0.02257
|
|
216 8D-1 0.07296 0.07809 0.06831 0.00907 0.00349
|
|
217 8D+2 0.47290 0.51799 0.47201 -0.05540 -0.05594
|
|
218 8D-2 -0.35123 -0.31767 -0.28718 0.03610 0.02514
|
|
219 9D 0 -0.41140 -0.34370 -0.35600 0.21379 0.12831
|
|
220 9D+1 -0.14647 -0.39484 -0.34939 0.03889 0.09776
|
|
221 9D-1 0.07571 0.11579 0.11664 -0.06138 -0.02761
|
|
222 9D+2 0.44331 0.66186 0.52855 -0.21528 -0.29036
|
|
223 9D-2 -0.55766 -0.29163 -0.42160 0.24063 0.03439
|
|
224 10F 0 -0.04747 -0.14787 -0.13591 0.06800 0.07002
|
|
225 10F+1 0.15924 0.15237 0.14768 -0.14218 -0.11848
|
|
226 10F-1 -0.08407 -0.01704 -0.04519 0.03467 0.01516
|
|
227 10F+2 0.03566 0.17181 0.15348 -0.06238 -0.07510
|
|
228 10F-2 -0.06054 -0.09732 -0.09806 0.03957 0.03697
|
|
229 10F+3 -0.07543 -0.23238 -0.15737 0.09696 0.13607
|
|
230 10F-3 0.18987 0.19396 0.21585 -0.15635 -0.12517
|
|
Alpha Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 N 1S 0.37891
|
|
2 2S -0.28401 0.22656
|
|
3 3S -0.01672 0.04008 0.05635
|
|
4 4S -0.06138 0.10148 0.11423 0.23584
|
|
5 5S -0.02044 0.03519 0.04085 0.08403 0.03871
|
|
6 6PX -0.00259 0.00399 0.00501 0.00955 0.00586
|
|
7 6PY -0.00237 0.00359 0.00488 0.00481 0.00388
|
|
8 6PZ 0.00298 -0.00459 -0.00578 -0.01158 -0.00218
|
|
9 7PX -0.00331 0.00618 0.00906 0.01710 0.01084
|
|
10 7PY -0.00291 0.00540 0.00874 0.00787 0.00708
|
|
11 7PZ 0.00379 -0.00709 -0.01044 -0.02079 -0.00369
|
|
12 8PX -0.00494 0.00918 0.01332 0.02495 0.01403
|
|
13 8PY -0.00380 0.00692 0.01108 0.01018 0.00827
|
|
14 8PZ 0.00540 -0.01003 -0.01471 -0.02853 -0.00613
|
|
15 9PX -0.00696 0.01242 0.01657 0.03123 0.01505
|
|
16 9PY -0.00489 0.00845 0.01167 0.01797 0.00557
|
|
17 9PZ 0.00759 -0.01349 -0.01814 -0.03442 -0.00864
|
|
18 10D 0 -0.00003 0.00004 0.00005 -0.00001 0.00019
|
|
19 10D+1 -0.00007 0.00014 0.00021 0.00037 0.00016
|
|
20 10D-1 -0.00003 0.00007 0.00011 0.00016 0.00028
|
|
21 10D+2 -0.00008 0.00012 0.00016 0.00018 0.00004
|
|
22 10D-2 0.00003 -0.00008 -0.00011 -0.00020 0.00007
|
|
23 11D 0 0.00021 -0.00032 -0.00028 -0.00108 0.00029
|
|
24 11D+1 -0.00071 0.00114 0.00129 0.00256 0.00097
|
|
25 11D-1 -0.00044 0.00070 0.00078 0.00142 0.00151
|
|
26 11D+2 0.00027 -0.00038 -0.00025 -0.00128 -0.00042
|
|
27 11D-2 0.00038 -0.00062 -0.00074 -0.00139 0.00009
|
|
28 12D 0 0.00013 -0.00020 -0.00017 -0.00083 0.00004
|
|
29 12D+1 -0.00045 0.00058 0.00056 0.00105 0.00068
|
|
30 12D-1 -0.00058 0.00079 0.00082 0.00141 0.00107
|
|
31 12D+2 -0.00019 0.00033 0.00054 0.00028 -0.00010
|
|
32 12D-2 0.00064 -0.00095 -0.00109 -0.00194 -0.00097
|
|
33 13F 0 -0.00003 0.00009 0.00012 0.00025 0.00014
|
|
34 13F+1 -0.00003 0.00009 0.00012 0.00023 0.00011
|
|
35 13F-1 -0.00003 0.00010 0.00013 0.00032 0.00015
|
|
36 13F+2 0.00002 -0.00005 -0.00007 -0.00013 0.00002
|
|
37 13F-2 -0.00003 0.00008 0.00012 0.00022 0.00010
|
|
38 13F+3 0.00002 -0.00006 -0.00009 -0.00020 0.00000
|
|
39 13F-3 -0.00004 0.00013 0.00017 0.00041 0.00008
|
|
40 14F 0 -0.00020 0.00024 0.00018 0.00041 0.00033
|
|
41 14F+1 -0.00020 0.00027 0.00022 0.00048 0.00026
|
|
42 14F-1 -0.00041 0.00062 0.00057 0.00142 0.00043
|
|
43 14F+2 0.00008 -0.00014 -0.00014 -0.00030 0.00010
|
|
44 14F-2 -0.00021 0.00036 0.00043 0.00084 0.00032
|
|
45 14F+3 0.00023 -0.00031 -0.00030 -0.00062 -0.00007
|
|
46 14F-3 -0.00043 0.00067 0.00063 0.00158 0.00061
|
|
47 15G 0 -0.00005 0.00006 0.00005 0.00014 0.00005
|
|
48 15G+1 -0.00001 0.00000 0.00000 0.00000 0.00002
|
|
49 15G-1 -0.00003 0.00005 0.00006 0.00013 0.00000
|
|
50 15G+2 -0.00002 0.00003 0.00003 0.00011 0.00004
|
|
51 15G-2 -0.00003 0.00005 0.00006 0.00012 0.00004
|
|
52 15G+3 -0.00001 0.00001 0.00001 0.00002 0.00000
|
|
53 15G-3 0.00001 -0.00002 -0.00003 -0.00005 -0.00006
|
|
54 15G+4 -0.00006 0.00010 0.00009 0.00025 0.00006
|
|
55 15G-4 0.00001 -0.00003 -0.00004 -0.00007 -0.00007
|
|
56 2 N 1S 0.00063 -0.00094 -0.00062 -0.00139 0.00142
|
|
57 2S -0.00094 0.00134 0.00057 0.00217 -0.00271
|
|
58 3S -0.00062 0.00057 -0.00069 0.00008 -0.00339
|
|
59 4S -0.00139 0.00217 0.00008 0.00525 -0.00604
|
|
60 5S 0.00142 -0.00271 -0.00339 -0.00604 -0.00543
|
|
61 6PX 0.00005 -0.00007 0.00005 0.00040 -0.00699
|
|
62 6PY -0.00364 0.00619 0.00625 0.01766 0.00465
|
|
63 6PZ -0.00034 0.00063 0.00110 0.00111 -0.00991
|
|
64 7PX 0.00012 -0.00019 0.00000 0.00059 -0.01343
|
|
65 7PY -0.00706 0.01194 0.01199 0.03394 0.00903
|
|
66 7PZ -0.00064 0.00122 0.00216 0.00224 -0.01889
|
|
67 8PX -0.00037 0.00062 0.00101 0.00297 -0.01778
|
|
68 8PY -0.00804 0.01416 0.01467 0.04158 0.01034
|
|
69 8PZ -0.00090 0.00170 0.00278 0.00369 -0.02487
|
|
70 9PX 0.00022 -0.00037 -0.00039 0.00033 -0.01574
|
|
71 9PY -0.00249 0.00430 0.00454 0.01375 -0.00398
|
|
72 9PZ -0.00200 0.00356 0.00483 0.00964 -0.01565
|
|
73 10D 0 0.00009 -0.00015 -0.00015 -0.00045 -0.00030
|
|
74 10D+1 -0.00003 0.00005 0.00006 0.00016 0.00001
|
|
75 10D-1 0.00000 0.00000 -0.00003 0.00002 0.00008
|
|
76 10D+2 0.00022 -0.00038 -0.00041 -0.00097 -0.00043
|
|
77 10D-2 -0.00008 0.00014 0.00017 0.00036 0.00014
|
|
78 11D 0 0.00054 -0.00092 -0.00093 -0.00252 -0.00135
|
|
79 11D+1 -0.00008 0.00012 0.00013 0.00031 0.00007
|
|
80 11D-1 0.00009 -0.00018 -0.00034 -0.00039 0.00015
|
|
81 11D+2 0.00103 -0.00182 -0.00202 -0.00485 -0.00202
|
|
82 11D-2 -0.00029 0.00054 0.00069 0.00146 0.00066
|
|
83 12D 0 0.00058 -0.00103 -0.00114 -0.00290 -0.00172
|
|
84 12D+1 0.00010 -0.00018 -0.00025 -0.00040 -0.00032
|
|
85 12D-1 -0.00021 0.00024 0.00011 0.00052 -0.00005
|
|
86 12D+2 0.00102 -0.00190 -0.00223 -0.00526 -0.00207
|
|
87 12D-2 -0.00006 0.00033 0.00054 0.00131 -0.00013
|
|
88 13F 0 -0.00001 0.00001 0.00002 0.00003 -0.00007
|
|
89 13F+1 -0.00001 0.00001 0.00001 0.00004 0.00013
|
|
90 13F-1 0.00007 -0.00012 -0.00013 -0.00030 -0.00001
|
|
91 13F+2 -0.00003 0.00004 0.00005 0.00012 0.00010
|
|
92 13F-2 0.00002 -0.00003 -0.00003 -0.00008 -0.00002
|
|
93 13F+3 0.00002 -0.00003 -0.00005 -0.00008 -0.00008
|
|
94 13F-3 0.00007 -0.00012 -0.00012 -0.00032 -0.00005
|
|
95 14F 0 -0.00004 0.00012 0.00020 0.00040 0.00004
|
|
96 14F+1 0.00005 -0.00010 -0.00014 -0.00028 0.00025
|
|
97 14F-1 0.00024 -0.00046 -0.00053 -0.00129 -0.00012
|
|
98 14F+2 -0.00001 0.00004 0.00008 0.00016 0.00036
|
|
99 14F-2 -0.00002 0.00003 0.00003 0.00006 0.00011
|
|
100 14F+3 0.00007 -0.00013 -0.00020 -0.00036 -0.00010
|
|
101 14F-3 0.00042 -0.00072 -0.00079 -0.00187 -0.00030
|
|
102 15G 0 -0.00003 0.00007 0.00008 0.00019 0.00001
|
|
103 15G+1 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
104 15G-1 0.00000 0.00000 0.00001 0.00003 0.00008
|
|
105 15G+2 -0.00006 0.00010 0.00011 0.00027 0.00011
|
|
106 15G-2 0.00000 0.00000 0.00000 0.00000 -0.00002
|
|
107 15G+3 -0.00001 0.00001 0.00000 0.00001 0.00000
|
|
108 15G-3 -0.00001 0.00002 0.00003 0.00006 0.00003
|
|
109 15G+4 -0.00006 0.00011 0.00012 0.00031 0.00006
|
|
110 15G-4 0.00002 -0.00004 -0.00006 -0.00011 0.00000
|
|
111 3 H 1S -0.00329 0.00558 0.00632 0.01193 0.00652
|
|
112 2S -0.00737 0.01286 0.01485 0.02762 0.01617
|
|
113 3S -0.00663 0.01183 0.01433 0.02413 0.01857
|
|
114 4S 0.00018 -0.00040 -0.00061 -0.00235 0.00331
|
|
115 5PX 0.00008 -0.00013 -0.00011 -0.00022 -0.00008
|
|
116 5PY 0.00017 -0.00027 -0.00027 -0.00060 -0.00024
|
|
117 5PZ 0.00052 -0.00089 -0.00103 -0.00201 -0.00087
|
|
118 6PX -0.00006 0.00007 0.00010 0.00027 0.00001
|
|
119 6PY 0.00019 -0.00043 -0.00052 -0.00118 -0.00036
|
|
120 6PZ 0.00096 -0.00180 -0.00230 -0.00413 -0.00223
|
|
121 7PX -0.00008 0.00013 0.00023 0.00060 0.00023
|
|
122 7PY 0.00058 -0.00104 -0.00128 -0.00260 -0.00084
|
|
123 7PZ 0.00104 -0.00207 -0.00290 -0.00497 -0.00247
|
|
124 8D 0 -0.00013 0.00023 0.00028 0.00052 0.00025
|
|
125 8D+1 -0.00005 0.00008 0.00009 0.00018 0.00008
|
|
126 8D-1 -0.00007 0.00013 0.00015 0.00033 0.00014
|
|
127 8D+2 0.00001 -0.00002 -0.00002 -0.00006 -0.00001
|
|
128 8D-2 0.00001 -0.00001 -0.00001 -0.00001 -0.00001
|
|
129 9D 0 -0.00020 0.00033 0.00044 0.00067 0.00051
|
|
130 9D+1 0.00003 -0.00004 -0.00004 -0.00016 0.00000
|
|
131 9D-1 -0.00012 0.00024 0.00032 0.00059 0.00021
|
|
132 9D+2 0.00005 -0.00010 -0.00013 -0.00030 -0.00007
|
|
133 9D-2 -0.00006 0.00010 0.00011 0.00022 0.00010
|
|
134 10F 0 0.00005 -0.00005 -0.00005 -0.00008 -0.00006
|
|
135 10F+1 0.00001 -0.00003 -0.00004 -0.00008 -0.00003
|
|
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|
213 7PZ -0.00001 0.00000 0.00001 -0.00003 -0.00005
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
191 192 193 194 195
|
|
191 9D-1 0.00002
|
|
192 9D+2 0.00001 0.00000
|
|
193 9D-2 0.00000 0.00000 0.00000
|
|
194 10F 0 0.00000 0.00000 0.00000 0.00000
|
|
195 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
196 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
197 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
198 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S 0.00019 0.00011 -0.00001 0.00002 0.00002
|
|
202 2S 0.00050 0.00028 -0.00004 0.00005 0.00005
|
|
203 3S 0.00068 0.00034 -0.00008 0.00006 0.00004
|
|
204 4S 0.00019 0.00010 -0.00003 0.00002 0.00001
|
|
205 5PX -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
206 5PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 6PX -0.00004 -0.00002 0.00000 0.00000 0.00000
|
|
209 6PY 0.00003 0.00001 0.00000 0.00001 0.00000
|
|
210 6PZ 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
211 7PX -0.00004 -0.00001 0.00000 0.00001 0.00000
|
|
212 7PY 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
213 7PZ 0.00001 0.00002 0.00000 0.00001 0.00001
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
196 197 198 199 200
|
|
196 10F-1 0.00000
|
|
197 10F+2 0.00000 0.00000
|
|
198 10F-2 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S -0.00003 -0.00003 -0.00001 0.00001 0.00001
|
|
202 2S -0.00008 -0.00009 -0.00002 0.00002 0.00002
|
|
203 3S -0.00012 -0.00012 -0.00001 0.00004 0.00002
|
|
204 4S -0.00003 -0.00003 0.00000 0.00001 0.00000
|
|
205 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
206 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 6PX 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
209 6PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
210 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 7PX 0.00001 0.00001 -0.00001 0.00000 0.00000
|
|
212 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
213 7PZ 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 202 203 204 205
|
|
201 6 H 1S 0.00536
|
|
202 2S 0.01405 0.03692
|
|
203 3S 0.01753 0.04641 0.06312
|
|
204 4S 0.00395 0.01057 0.01449 0.00363
|
|
205 5PX -0.00050 -0.00130 -0.00158 -0.00033 0.00005
|
|
206 5PY 0.00017 0.00044 0.00048 0.00010 -0.00001
|
|
207 5PZ 0.00014 0.00036 0.00029 0.00007 -0.00001
|
|
208 6PX -0.00144 -0.00378 -0.00522 -0.00111 0.00014
|
|
209 6PY 0.00046 0.00121 0.00129 0.00028 -0.00004
|
|
210 6PZ 0.00033 0.00089 0.00073 0.00022 -0.00002
|
|
211 7PX -0.00121 -0.00315 -0.00526 -0.00106 0.00013
|
|
212 7PY 0.00001 -0.00001 0.00013 -0.00005 -0.00001
|
|
213 7PZ 0.00071 0.00187 0.00177 0.00050 -0.00005
|
|
214 8D 0 -0.00008 -0.00021 -0.00028 -0.00006 0.00001
|
|
215 8D+1 -0.00006 -0.00015 -0.00014 -0.00003 0.00001
|
|
216 8D-1 0.00002 0.00005 0.00004 0.00001 0.00000
|
|
217 8D+2 0.00011 0.00029 0.00038 0.00008 -0.00001
|
|
218 8D-2 -0.00010 -0.00026 -0.00030 -0.00006 0.00001
|
|
219 9D 0 -0.00012 -0.00031 -0.00054 -0.00010 0.00001
|
|
220 9D+1 -0.00019 -0.00050 -0.00054 -0.00015 0.00002
|
|
221 9D-1 0.00004 0.00010 0.00012 0.00002 0.00000
|
|
222 9D+2 0.00030 0.00081 0.00129 0.00028 -0.00003
|
|
223 9D-2 -0.00015 -0.00038 -0.00049 -0.00010 0.00002
|
|
224 10F 0 -0.00002 -0.00006 -0.00007 -0.00002 0.00000
|
|
225 10F+1 0.00002 0.00005 0.00009 0.00002 0.00000
|
|
226 10F-1 -0.00001 -0.00002 -0.00002 -0.00001 0.00000
|
|
227 10F+2 0.00002 0.00006 0.00006 0.00001 0.00000
|
|
228 10F-2 -0.00002 -0.00004 -0.00004 -0.00001 0.00000
|
|
229 10F+3 -0.00002 -0.00006 -0.00011 -0.00002 0.00000
|
|
230 10F-3 0.00004 0.00011 0.00014 0.00003 0.00000
|
|
206 207 208 209 210
|
|
206 5PY 0.00001
|
|
207 5PZ 0.00001 0.00001
|
|
208 6PX -0.00003 -0.00001 0.00048
|
|
209 6PY 0.00003 0.00002 -0.00008 0.00010
|
|
210 6PZ 0.00001 0.00004 -0.00002 0.00004 0.00010
|
|
211 7PX -0.00001 0.00004 0.00055 -0.00001 0.00011
|
|
212 7PY 0.00001 -0.00002 -0.00004 0.00004 -0.00008
|
|
213 7PZ 0.00003 0.00006 -0.00008 0.00007 0.00017
|
|
214 8D 0 0.00000 0.00000 0.00003 -0.00001 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00001 -0.00001 -0.00001
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
217 8D+2 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
218 8D-2 -0.00001 0.00000 0.00002 -0.00002 -0.00001
|
|
219 9D 0 0.00000 0.00001 0.00006 0.00000 0.00002
|
|
220 9D+1 -0.00001 -0.00001 0.00003 -0.00001 -0.00004
|
|
221 9D-1 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
222 9D+2 0.00000 0.00000 -0.00013 0.00000 -0.00001
|
|
223 9D-2 -0.00001 0.00000 0.00004 -0.00002 0.00001
|
|
224 10F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 -0.00001 0.00000 -0.00001
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
211 212 213 214 215
|
|
211 7PX 0.00086
|
|
212 7PY -0.00013 0.00012
|
|
213 7PZ 0.00012 -0.00011 0.00028
|
|
214 8D 0 0.00003 -0.00001 0.00000 0.00000
|
|
215 8D+1 -0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
216 8D-1 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
217 8D+2 -0.00004 0.00000 0.00001 0.00000 0.00000
|
|
218 8D-2 0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
219 9D 0 0.00010 -0.00003 0.00002 0.00000 0.00000
|
|
220 9D+1 -0.00001 0.00002 -0.00006 0.00000 0.00000
|
|
221 9D-1 -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
222 9D+2 -0.00017 0.00001 0.00000 -0.00001 0.00000
|
|
223 9D-2 0.00006 -0.00003 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
225 10F+1 -0.00002 0.00001 -0.00001 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
229 10F+3 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
216 217 218 219 220
|
|
216 8D-1 0.00000
|
|
217 8D+2 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00001
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00001 0.00000 -0.00002 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 222 223 224 225
|
|
221 9D-1 0.00000
|
|
222 9D+2 0.00000 0.00004
|
|
223 9D-2 0.00000 -0.00001 0.00001
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 227 228 229 230
|
|
226 10F-1 0.00000
|
|
227 10F+2 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
Beta Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 N 1S 0.37891
|
|
2 2S -0.28401 0.22656
|
|
3 3S -0.01672 0.04008 0.05635
|
|
4 4S -0.06138 0.10148 0.11423 0.23584
|
|
5 5S -0.02044 0.03519 0.04085 0.08403 0.03871
|
|
6 6PX -0.00259 0.00399 0.00501 0.00955 0.00586
|
|
7 6PY -0.00237 0.00359 0.00488 0.00481 0.00388
|
|
8 6PZ 0.00298 -0.00459 -0.00578 -0.01158 -0.00218
|
|
9 7PX -0.00331 0.00618 0.00906 0.01710 0.01084
|
|
10 7PY -0.00291 0.00540 0.00874 0.00787 0.00708
|
|
11 7PZ 0.00379 -0.00709 -0.01044 -0.02079 -0.00369
|
|
12 8PX -0.00494 0.00918 0.01332 0.02495 0.01403
|
|
13 8PY -0.00380 0.00692 0.01108 0.01018 0.00827
|
|
14 8PZ 0.00540 -0.01003 -0.01471 -0.02853 -0.00613
|
|
15 9PX -0.00696 0.01242 0.01657 0.03123 0.01505
|
|
16 9PY -0.00489 0.00845 0.01167 0.01797 0.00557
|
|
17 9PZ 0.00759 -0.01349 -0.01814 -0.03442 -0.00864
|
|
18 10D 0 -0.00003 0.00004 0.00005 -0.00001 0.00019
|
|
19 10D+1 -0.00007 0.00014 0.00021 0.00037 0.00016
|
|
20 10D-1 -0.00003 0.00007 0.00011 0.00016 0.00028
|
|
21 10D+2 -0.00008 0.00012 0.00016 0.00018 0.00004
|
|
22 10D-2 0.00003 -0.00008 -0.00011 -0.00020 0.00007
|
|
23 11D 0 0.00021 -0.00032 -0.00028 -0.00108 0.00029
|
|
24 11D+1 -0.00071 0.00114 0.00129 0.00256 0.00097
|
|
25 11D-1 -0.00044 0.00070 0.00078 0.00142 0.00151
|
|
26 11D+2 0.00027 -0.00038 -0.00025 -0.00128 -0.00042
|
|
27 11D-2 0.00038 -0.00062 -0.00074 -0.00139 0.00009
|
|
28 12D 0 0.00013 -0.00020 -0.00017 -0.00083 0.00004
|
|
29 12D+1 -0.00045 0.00058 0.00056 0.00105 0.00068
|
|
30 12D-1 -0.00058 0.00079 0.00082 0.00141 0.00107
|
|
31 12D+2 -0.00019 0.00033 0.00054 0.00028 -0.00010
|
|
32 12D-2 0.00064 -0.00095 -0.00109 -0.00194 -0.00097
|
|
33 13F 0 -0.00003 0.00009 0.00012 0.00025 0.00014
|
|
34 13F+1 -0.00003 0.00009 0.00012 0.00023 0.00011
|
|
35 13F-1 -0.00003 0.00010 0.00013 0.00032 0.00015
|
|
36 13F+2 0.00002 -0.00005 -0.00007 -0.00013 0.00002
|
|
37 13F-2 -0.00003 0.00008 0.00012 0.00022 0.00010
|
|
38 13F+3 0.00002 -0.00006 -0.00009 -0.00020 0.00000
|
|
39 13F-3 -0.00004 0.00013 0.00017 0.00041 0.00008
|
|
40 14F 0 -0.00020 0.00024 0.00018 0.00041 0.00033
|
|
41 14F+1 -0.00020 0.00027 0.00022 0.00048 0.00026
|
|
42 14F-1 -0.00041 0.00062 0.00057 0.00142 0.00043
|
|
43 14F+2 0.00008 -0.00014 -0.00014 -0.00030 0.00010
|
|
44 14F-2 -0.00021 0.00036 0.00043 0.00084 0.00032
|
|
45 14F+3 0.00023 -0.00031 -0.00030 -0.00062 -0.00007
|
|
46 14F-3 -0.00043 0.00067 0.00063 0.00158 0.00061
|
|
47 15G 0 -0.00005 0.00006 0.00005 0.00014 0.00005
|
|
48 15G+1 -0.00001 0.00000 0.00000 0.00000 0.00002
|
|
49 15G-1 -0.00003 0.00005 0.00006 0.00013 0.00000
|
|
50 15G+2 -0.00002 0.00003 0.00003 0.00011 0.00004
|
|
51 15G-2 -0.00003 0.00005 0.00006 0.00012 0.00004
|
|
52 15G+3 -0.00001 0.00001 0.00001 0.00002 0.00000
|
|
53 15G-3 0.00001 -0.00002 -0.00003 -0.00005 -0.00006
|
|
54 15G+4 -0.00006 0.00010 0.00009 0.00025 0.00006
|
|
55 15G-4 0.00001 -0.00003 -0.00004 -0.00007 -0.00007
|
|
56 2 N 1S 0.00063 -0.00094 -0.00062 -0.00139 0.00142
|
|
57 2S -0.00094 0.00134 0.00057 0.00217 -0.00271
|
|
58 3S -0.00062 0.00057 -0.00069 0.00008 -0.00339
|
|
59 4S -0.00139 0.00217 0.00008 0.00525 -0.00604
|
|
60 5S 0.00142 -0.00271 -0.00339 -0.00604 -0.00543
|
|
61 6PX 0.00005 -0.00007 0.00005 0.00040 -0.00699
|
|
62 6PY -0.00364 0.00619 0.00625 0.01766 0.00465
|
|
63 6PZ -0.00034 0.00063 0.00110 0.00111 -0.00991
|
|
64 7PX 0.00012 -0.00019 0.00000 0.00059 -0.01343
|
|
65 7PY -0.00706 0.01194 0.01199 0.03394 0.00903
|
|
66 7PZ -0.00064 0.00122 0.00216 0.00224 -0.01889
|
|
67 8PX -0.00037 0.00062 0.00101 0.00297 -0.01778
|
|
68 8PY -0.00804 0.01416 0.01467 0.04158 0.01034
|
|
69 8PZ -0.00090 0.00170 0.00278 0.00369 -0.02487
|
|
70 9PX 0.00022 -0.00037 -0.00039 0.00033 -0.01574
|
|
71 9PY -0.00249 0.00430 0.00454 0.01375 -0.00398
|
|
72 9PZ -0.00200 0.00356 0.00483 0.00964 -0.01565
|
|
73 10D 0 0.00009 -0.00015 -0.00015 -0.00045 -0.00030
|
|
74 10D+1 -0.00003 0.00005 0.00006 0.00016 0.00001
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185 8D+1 -0.00002 0.00001 -0.00001 0.00000 0.00000
|
|
186 8D-1 -0.00001 -0.00001 0.00001 0.00000 0.00000
|
|
187 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
188 8D-2 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
189 9D 0 -0.00001 0.00005 -0.00020 0.00001 0.00000
|
|
190 9D+1 -0.00005 0.00001 0.00001 0.00000 0.00000
|
|
191 9D-1 0.00000 -0.00006 0.00011 -0.00001 0.00000
|
|
192 9D+2 0.00002 -0.00003 0.00003 0.00000 0.00000
|
|
193 9D-2 0.00000 0.00001 -0.00002 0.00000 0.00000
|
|
194 10F 0 0.00000 -0.00001 0.00003 0.00000 0.00000
|
|
195 10F+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
196 10F-1 0.00000 0.00001 -0.00002 0.00000 0.00000
|
|
197 10F+2 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
198 10F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S 0.00053 -0.00069 0.00086 -0.00002 -0.00006
|
|
202 2S 0.00141 -0.00188 0.00238 -0.00005 -0.00016
|
|
203 3S 0.00120 -0.00239 0.00270 -0.00011 -0.00014
|
|
204 4S 0.00036 -0.00072 0.00083 -0.00004 -0.00003
|
|
205 5PX -0.00004 0.00005 -0.00004 0.00000 0.00001
|
|
206 5PY 0.00002 -0.00002 0.00008 0.00000 0.00000
|
|
207 5PZ 0.00005 -0.00002 0.00004 0.00000 0.00000
|
|
208 6PX -0.00004 0.00014 -0.00005 0.00000 0.00001
|
|
209 6PY 0.00005 -0.00008 0.00025 -0.00001 -0.00001
|
|
210 6PZ 0.00015 -0.00006 0.00013 0.00000 -0.00001
|
|
211 7PX 0.00014 0.00007 0.00022 0.00000 -0.00001
|
|
212 7PY -0.00011 0.00002 -0.00002 0.00000 0.00001
|
|
213 7PZ 0.00026 -0.00012 0.00021 0.00000 -0.00002
|
|
214 8D 0 0.00000 0.00001 -0.00001 0.00000 0.00000
|
|
215 8D+1 -0.00002 0.00000 -0.00001 0.00000 0.00000
|
|
216 8D-1 0.00001 0.00000 0.00002 0.00000 0.00000
|
|
217 8D+2 0.00001 -0.00001 -0.00001 0.00000 0.00000
|
|
218 8D-2 -0.00001 0.00001 -0.00004 0.00000 0.00000
|
|
219 9D 0 0.00003 0.00001 0.00002 0.00000 0.00000
|
|
220 9D+1 -0.00006 0.00003 -0.00004 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 -0.00001 -0.00003 -0.00003 0.00000 0.00000
|
|
223 9D-2 0.00001 0.00002 -0.00003 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
230 10F-3 0.00000 -0.00001 0.00001 0.00000 0.00000
|
|
186 187 188 189 190
|
|
186 8D-1 0.00000
|
|
187 8D+2 0.00000 0.00000
|
|
188 8D-2 0.00000 0.00000 0.00000
|
|
189 9D 0 0.00000 0.00000 0.00000 0.00004
|
|
190 9D+1 0.00000 0.00000 0.00000 -0.00001 0.00001
|
|
191 9D-1 0.00001 0.00000 0.00000 -0.00002 0.00000
|
|
192 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
193 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
194 10F 0 0.00000 0.00000 0.00000 -0.00001 0.00000
|
|
195 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
196 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
197 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
198 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S 0.00003 0.00003 0.00002 -0.00016 -0.00006
|
|
202 2S 0.00008 0.00008 0.00005 -0.00044 -0.00016
|
|
203 3S 0.00019 0.00011 0.00002 -0.00056 -0.00006
|
|
204 4S 0.00005 0.00003 0.00001 -0.00015 -0.00003
|
|
205 5PX 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
206 5PY 0.00000 0.00000 0.00000 -0.00002 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
208 6PX -0.00001 -0.00001 0.00000 0.00001 0.00000
|
|
209 6PY 0.00000 0.00000 0.00000 -0.00005 0.00000
|
|
210 6PZ -0.00001 0.00000 0.00001 -0.00002 -0.00003
|
|
211 7PX -0.00003 -0.00001 0.00001 -0.00003 -0.00004
|
|
212 7PY 0.00001 0.00000 -0.00001 0.00000 0.00003
|
|
213 7PZ -0.00001 0.00000 0.00001 -0.00003 -0.00005
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
191 192 193 194 195
|
|
191 9D-1 0.00002
|
|
192 9D+2 0.00001 0.00000
|
|
193 9D-2 0.00000 0.00000 0.00000
|
|
194 10F 0 0.00000 0.00000 0.00000 0.00000
|
|
195 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
196 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
197 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
198 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S 0.00019 0.00011 -0.00001 0.00002 0.00002
|
|
202 2S 0.00050 0.00028 -0.00004 0.00005 0.00005
|
|
203 3S 0.00068 0.00034 -0.00008 0.00006 0.00004
|
|
204 4S 0.00019 0.00010 -0.00003 0.00002 0.00001
|
|
205 5PX -0.00001 -0.00001 0.00000 0.00000 0.00000
|
|
206 5PY 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 6PX -0.00004 -0.00002 0.00000 0.00000 0.00000
|
|
209 6PY 0.00003 0.00001 0.00000 0.00001 0.00000
|
|
210 6PZ 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
211 7PX -0.00004 -0.00001 0.00000 0.00001 0.00000
|
|
212 7PY 0.00002 -0.00001 0.00000 0.00000 0.00000
|
|
213 7PZ 0.00001 0.00002 0.00000 0.00001 0.00001
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
196 197 198 199 200
|
|
196 10F-1 0.00000
|
|
197 10F+2 0.00000 0.00000
|
|
198 10F-2 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S -0.00003 -0.00003 -0.00001 0.00001 0.00001
|
|
202 2S -0.00008 -0.00009 -0.00002 0.00002 0.00002
|
|
203 3S -0.00012 -0.00012 -0.00001 0.00004 0.00002
|
|
204 4S -0.00003 -0.00003 0.00000 0.00001 0.00000
|
|
205 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
206 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 6PX 0.00001 0.00001 0.00000 0.00000 0.00000
|
|
209 6PY -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
210 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 7PX 0.00001 0.00001 -0.00001 0.00000 0.00000
|
|
212 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
213 7PZ 0.00000 -0.00001 -0.00001 0.00000 0.00000
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 202 203 204 205
|
|
201 6 H 1S 0.00536
|
|
202 2S 0.01405 0.03692
|
|
203 3S 0.01753 0.04641 0.06312
|
|
204 4S 0.00395 0.01057 0.01449 0.00363
|
|
205 5PX -0.00050 -0.00130 -0.00158 -0.00033 0.00005
|
|
206 5PY 0.00017 0.00044 0.00048 0.00010 -0.00001
|
|
207 5PZ 0.00014 0.00036 0.00029 0.00007 -0.00001
|
|
208 6PX -0.00144 -0.00378 -0.00522 -0.00111 0.00014
|
|
209 6PY 0.00046 0.00121 0.00129 0.00028 -0.00004
|
|
210 6PZ 0.00033 0.00089 0.00073 0.00022 -0.00002
|
|
211 7PX -0.00121 -0.00315 -0.00526 -0.00106 0.00013
|
|
212 7PY 0.00001 -0.00001 0.00013 -0.00005 -0.00001
|
|
213 7PZ 0.00071 0.00187 0.00177 0.00050 -0.00005
|
|
214 8D 0 -0.00008 -0.00021 -0.00028 -0.00006 0.00001
|
|
215 8D+1 -0.00006 -0.00015 -0.00014 -0.00003 0.00001
|
|
216 8D-1 0.00002 0.00005 0.00004 0.00001 0.00000
|
|
217 8D+2 0.00011 0.00029 0.00038 0.00008 -0.00001
|
|
218 8D-2 -0.00010 -0.00026 -0.00030 -0.00006 0.00001
|
|
219 9D 0 -0.00012 -0.00031 -0.00054 -0.00010 0.00001
|
|
220 9D+1 -0.00019 -0.00050 -0.00054 -0.00015 0.00002
|
|
221 9D-1 0.00004 0.00010 0.00012 0.00002 0.00000
|
|
222 9D+2 0.00030 0.00081 0.00129 0.00028 -0.00003
|
|
223 9D-2 -0.00015 -0.00038 -0.00049 -0.00010 0.00002
|
|
224 10F 0 -0.00002 -0.00006 -0.00007 -0.00002 0.00000
|
|
225 10F+1 0.00002 0.00005 0.00009 0.00002 0.00000
|
|
226 10F-1 -0.00001 -0.00002 -0.00002 -0.00001 0.00000
|
|
227 10F+2 0.00002 0.00006 0.00006 0.00001 0.00000
|
|
228 10F-2 -0.00002 -0.00004 -0.00004 -0.00001 0.00000
|
|
229 10F+3 -0.00002 -0.00006 -0.00011 -0.00002 0.00000
|
|
230 10F-3 0.00004 0.00011 0.00014 0.00003 0.00000
|
|
206 207 208 209 210
|
|
206 5PY 0.00001
|
|
207 5PZ 0.00001 0.00001
|
|
208 6PX -0.00003 -0.00001 0.00048
|
|
209 6PY 0.00003 0.00002 -0.00008 0.00010
|
|
210 6PZ 0.00001 0.00004 -0.00002 0.00004 0.00010
|
|
211 7PX -0.00001 0.00004 0.00055 -0.00001 0.00011
|
|
212 7PY 0.00001 -0.00002 -0.00004 0.00004 -0.00008
|
|
213 7PZ 0.00003 0.00006 -0.00008 0.00007 0.00017
|
|
214 8D 0 0.00000 0.00000 0.00003 -0.00001 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00001 -0.00001 -0.00001
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
217 8D+2 0.00000 0.00000 -0.00004 0.00000 0.00000
|
|
218 8D-2 -0.00001 0.00000 0.00002 -0.00002 -0.00001
|
|
219 9D 0 0.00000 0.00001 0.00006 0.00000 0.00002
|
|
220 9D+1 -0.00001 -0.00001 0.00003 -0.00001 -0.00004
|
|
221 9D-1 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
222 9D+2 0.00000 0.00000 -0.00013 0.00000 -0.00001
|
|
223 9D-2 -0.00001 0.00000 0.00004 -0.00002 0.00001
|
|
224 10F 0 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 -0.00001 0.00000 -0.00001
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 -0.00001 0.00001 0.00000
|
|
211 212 213 214 215
|
|
211 7PX 0.00086
|
|
212 7PY -0.00013 0.00012
|
|
213 7PZ 0.00012 -0.00011 0.00028
|
|
214 8D 0 0.00003 -0.00001 0.00000 0.00000
|
|
215 8D+1 -0.00001 0.00001 -0.00002 0.00000 0.00000
|
|
216 8D-1 0.00001 0.00000 0.00001 0.00000 0.00000
|
|
217 8D+2 -0.00004 0.00000 0.00001 0.00000 0.00000
|
|
218 8D-2 0.00001 0.00000 -0.00001 0.00000 0.00000
|
|
219 9D 0 0.00010 -0.00003 0.00002 0.00000 0.00000
|
|
220 9D+1 -0.00001 0.00002 -0.00006 0.00000 0.00000
|
|
221 9D-1 -0.00001 0.00001 0.00000 0.00000 0.00000
|
|
222 9D+2 -0.00017 0.00001 0.00000 -0.00001 0.00000
|
|
223 9D-2 0.00006 -0.00003 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
225 10F+1 -0.00002 0.00001 -0.00001 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 -0.00001 0.00000 0.00000
|
|
229 10F+3 0.00002 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 -0.00001 0.00000 0.00000 0.00000 0.00000
|
|
216 217 218 219 220
|
|
216 8D-1 0.00000
|
|
217 8D+2 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00001
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00001 0.00000 -0.00002 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00001 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 222 223 224 225
|
|
221 9D-1 0.00000
|
|
222 9D+2 0.00000 0.00004
|
|
223 9D-2 0.00000 -0.00001 0.00001
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 227 228 229 230
|
|
226 10F-1 0.00000
|
|
227 10F+2 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
Full Mulliken population analysis:
|
|
1 2 3 4 5
|
|
1 1 N 1S 0.75782
|
|
2 2S 0.47495 0.45312
|
|
3 3S -0.01129 -0.05133 0.11270
|
|
4 4S -0.02204 -0.07677 0.19471 0.47167
|
|
5 5S -0.00364 -0.01387 0.04471 0.14152 0.07742
|
|
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
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196 10F-1 0.00000
|
|
197 10F+2 0.00000 0.00000
|
|
198 10F-2 0.00000 0.00000 0.00000
|
|
199 10F+3 0.00000 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
202 2S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
203 3S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
204 4S 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
205 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
206 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
209 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
210 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
212 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
213 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
201 202 203 204 205
|
|
201 6 H 1S 0.01073
|
|
202 2S 0.02002 0.07383
|
|
203 3S 0.01345 0.07397 0.12624
|
|
204 4S 0.00149 0.00990 0.02374 0.00727
|
|
205 5PX 0.00000 0.00000 0.00000 0.00000 0.00010
|
|
206 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
207 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
208 6PX 0.00000 0.00000 0.00000 0.00000 0.00021
|
|
209 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
210 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 7PX 0.00000 0.00000 0.00000 0.00000 0.00008
|
|
212 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
213 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
206 207 208 209 210
|
|
206 5PY 0.00002
|
|
207 5PZ 0.00000 0.00003
|
|
208 6PX 0.00000 0.00000 0.00097
|
|
209 6PY 0.00005 0.00000 0.00000 0.00020
|
|
210 6PZ 0.00000 0.00005 0.00000 0.00000 0.00021
|
|
211 7PX 0.00000 0.00000 0.00079 0.00000 0.00000
|
|
212 7PY 0.00000 0.00000 0.00000 0.00005 0.00000
|
|
213 7PZ 0.00000 0.00004 0.00000 0.00000 0.00024
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
211 212 213 214 215
|
|
211 7PX 0.00172
|
|
212 7PY 0.00000 0.00024
|
|
213 7PZ 0.00000 0.00000 0.00056
|
|
214 8D 0 0.00000 0.00000 0.00000 0.00000
|
|
215 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
217 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
216 217 218 219 220
|
|
216 8D-1 0.00000
|
|
217 8D+2 0.00000 0.00001
|
|
218 8D-2 0.00000 0.00000 0.00001
|
|
219 9D 0 0.00000 0.00000 0.00000 0.00003
|
|
220 9D+1 0.00000 0.00000 0.00000 0.00000 0.00003
|
|
221 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
222 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000
|
|
223 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
221 222 223 224 225
|
|
221 9D-1 0.00000
|
|
222 9D+2 0.00000 0.00008
|
|
223 9D-2 0.00000 0.00000 0.00002
|
|
224 10F 0 0.00000 0.00000 0.00000 0.00000
|
|
225 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
226 227 228 229 230
|
|
226 10F-1 0.00000
|
|
227 10F+2 0.00000 0.00000
|
|
228 10F-2 0.00000 0.00000 0.00000
|
|
229 10F+3 0.00000 0.00000 0.00000 0.00000
|
|
230 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
Gross orbital populations:
|
|
Total Alpha Beta Spin
|
|
1 1 N 1S 1.19213 0.59607 0.59607 0.00000
|
|
2 2S 0.77089 0.38545 0.38545 0.00000
|
|
3 3S 0.34566 0.17283 0.17283 0.00000
|
|
4 4S 0.89036 0.44518 0.44518 0.00000
|
|
5 5S 0.27982 0.13991 0.13991 0.00000
|
|
6 6PX 0.12284 0.06142 0.06142 0.00000
|
|
7 6PY 0.08756 0.04378 0.04378 0.00000
|
|
8 6PZ 0.12476 0.06238 0.06238 0.00000
|
|
9 7PX 0.39922 0.19961 0.19961 0.00000
|
|
10 7PY 0.29969 0.14985 0.14985 0.00000
|
|
11 7PZ 0.40370 0.20185 0.20185 0.00000
|
|
12 8PX 0.60435 0.30218 0.30218 0.00000
|
|
13 8PY 0.46426 0.23213 0.23213 0.00000
|
|
14 8PZ 0.61117 0.30558 0.30558 0.00000
|
|
15 9PX 0.26457 0.13228 0.13228 0.00000
|
|
16 9PY 0.12479 0.06240 0.06240 0.00000
|
|
17 9PZ 0.27779 0.13889 0.13889 0.00000
|
|
18 10D 0 0.00055 0.00028 0.00028 0.00000
|
|
19 10D+1 0.00004 0.00002 0.00002 0.00000
|
|
20 10D-1 0.00025 0.00013 0.00013 0.00000
|
|
21 10D+2 0.00060 0.00030 0.00030 0.00000
|
|
22 10D-2 0.00020 0.00010 0.00010 0.00000
|
|
23 11D 0 0.00633 0.00316 0.00316 0.00000
|
|
24 11D+1 0.00047 0.00023 0.00023 0.00000
|
|
25 11D-1 0.00404 0.00202 0.00202 0.00000
|
|
26 11D+2 0.00870 0.00435 0.00435 0.00000
|
|
27 11D-2 0.00330 0.00165 0.00165 0.00000
|
|
28 12D 0 0.00876 0.00438 0.00438 0.00000
|
|
29 12D+1 0.00032 0.00016 0.00016 0.00000
|
|
30 12D-1 0.00541 0.00270 0.00270 0.00000
|
|
31 12D+2 0.01371 0.00686 0.00686 0.00000
|
|
32 12D-2 -0.00039 -0.00020 -0.00020 0.00000
|
|
33 13F 0 0.00005 0.00003 0.00003 0.00000
|
|
34 13F+1 0.00006 0.00003 0.00003 0.00000
|
|
35 13F-1 0.00012 0.00006 0.00006 0.00000
|
|
36 13F+2 0.00006 0.00003 0.00003 0.00000
|
|
37 13F-2 0.00002 0.00001 0.00001 0.00000
|
|
38 13F+3 0.00008 0.00004 0.00004 0.00000
|
|
39 13F-3 0.00013 0.00006 0.00006 0.00000
|
|
40 14F 0 0.00073 0.00036 0.00036 0.00000
|
|
41 14F+1 0.00051 0.00026 0.00026 0.00000
|
|
42 14F-1 0.00126 0.00063 0.00063 0.00000
|
|
43 14F+2 0.00086 0.00043 0.00043 0.00000
|
|
44 14F-2 0.00007 0.00004 0.00004 0.00000
|
|
45 14F+3 0.00102 0.00051 0.00051 0.00000
|
|
46 14F-3 0.00163 0.00082 0.00082 0.00000
|
|
47 15G 0 0.00004 0.00002 0.00002 0.00000
|
|
48 15G+1 0.00003 0.00002 0.00002 0.00000
|
|
49 15G-1 0.00008 0.00004 0.00004 0.00000
|
|
50 15G+2 0.00007 0.00003 0.00003 0.00000
|
|
51 15G-2 0.00002 0.00001 0.00001 0.00000
|
|
52 15G+3 0.00001 0.00000 0.00000 0.00000
|
|
53 15G-3 0.00005 0.00002 0.00002 0.00000
|
|
54 15G+4 0.00010 0.00005 0.00005 0.00000
|
|
55 15G-4 0.00012 0.00006 0.00006 0.00000
|
|
56 2 N 1S 1.19213 0.59607 0.59607 0.00000
|
|
57 2S 0.77089 0.38545 0.38545 0.00000
|
|
58 3S 0.34566 0.17283 0.17283 0.00000
|
|
59 4S 0.89036 0.44518 0.44518 0.00000
|
|
60 5S 0.27982 0.13991 0.13991 0.00000
|
|
61 6PX 0.12284 0.06142 0.06142 0.00000
|
|
62 6PY 0.08756 0.04378 0.04378 0.00000
|
|
63 6PZ 0.12476 0.06238 0.06238 0.00000
|
|
64 7PX 0.39922 0.19961 0.19961 0.00000
|
|
65 7PY 0.29969 0.14985 0.14985 0.00000
|
|
66 7PZ 0.40370 0.20185 0.20185 0.00000
|
|
67 8PX 0.60435 0.30218 0.30218 0.00000
|
|
68 8PY 0.46426 0.23213 0.23213 0.00000
|
|
69 8PZ 0.61117 0.30558 0.30558 0.00000
|
|
70 9PX 0.26457 0.13228 0.13228 0.00000
|
|
71 9PY 0.12479 0.06240 0.06240 0.00000
|
|
72 9PZ 0.27779 0.13889 0.13889 0.00000
|
|
73 10D 0 0.00055 0.00028 0.00028 0.00000
|
|
74 10D+1 0.00004 0.00002 0.00002 0.00000
|
|
75 10D-1 0.00025 0.00013 0.00013 0.00000
|
|
76 10D+2 0.00060 0.00030 0.00030 0.00000
|
|
77 10D-2 0.00020 0.00010 0.00010 0.00000
|
|
78 11D 0 0.00633 0.00316 0.00316 0.00000
|
|
79 11D+1 0.00047 0.00023 0.00023 0.00000
|
|
80 11D-1 0.00404 0.00202 0.00202 0.00000
|
|
81 11D+2 0.00870 0.00435 0.00435 0.00000
|
|
82 11D-2 0.00330 0.00165 0.00165 0.00000
|
|
83 12D 0 0.00876 0.00438 0.00438 0.00000
|
|
84 12D+1 0.00032 0.00016 0.00016 0.00000
|
|
85 12D-1 0.00541 0.00270 0.00270 0.00000
|
|
86 12D+2 0.01371 0.00686 0.00686 0.00000
|
|
87 12D-2 -0.00039 -0.00020 -0.00020 0.00000
|
|
88 13F 0 0.00005 0.00003 0.00003 0.00000
|
|
89 13F+1 0.00006 0.00003 0.00003 0.00000
|
|
90 13F-1 0.00012 0.00006 0.00006 0.00000
|
|
91 13F+2 0.00006 0.00003 0.00003 0.00000
|
|
92 13F-2 0.00002 0.00001 0.00001 0.00000
|
|
93 13F+3 0.00008 0.00004 0.00004 0.00000
|
|
94 13F-3 0.00013 0.00006 0.00006 0.00000
|
|
95 14F 0 0.00073 0.00036 0.00036 0.00000
|
|
96 14F+1 0.00051 0.00026 0.00026 0.00000
|
|
97 14F-1 0.00126 0.00063 0.00063 0.00000
|
|
98 14F+2 0.00086 0.00043 0.00043 0.00000
|
|
99 14F-2 0.00007 0.00004 0.00004 0.00000
|
|
100 14F+3 0.00102 0.00051 0.00051 0.00000
|
|
101 14F-3 0.00163 0.00082 0.00082 0.00000
|
|
102 15G 0 0.00004 0.00002 0.00002 0.00000
|
|
103 15G+1 0.00003 0.00002 0.00002 0.00000
|
|
104 15G-1 0.00008 0.00004 0.00004 0.00000
|
|
105 15G+2 0.00007 0.00003 0.00003 0.00000
|
|
106 15G-2 0.00002 0.00001 0.00001 0.00000
|
|
107 15G+3 0.00001 0.00000 0.00000 0.00000
|
|
108 15G-3 0.00005 0.00002 0.00002 0.00000
|
|
109 15G+4 0.00010 0.00005 0.00005 0.00000
|
|
110 15G-4 0.00012 0.00006 0.00006 0.00000
|
|
111 3 H 1S 0.06895 0.03447 0.03447 0.00000
|
|
112 2S 0.30417 0.15209 0.15209 0.00000
|
|
113 3S 0.36604 0.18302 0.18302 0.00000
|
|
114 4S 0.04159 0.02079 0.02079 0.00000
|
|
115 5PX 0.00074 0.00037 0.00037 0.00000
|
|
116 5PY 0.00072 0.00036 0.00036 0.00000
|
|
117 5PZ 0.00228 0.00114 0.00114 0.00000
|
|
118 6PX 0.00486 0.00243 0.00243 0.00000
|
|
119 6PY 0.00486 0.00243 0.00243 0.00000
|
|
120 6PZ 0.01282 0.00641 0.00641 0.00000
|
|
121 7PX 0.01216 0.00608 0.00608 0.00000
|
|
122 7PY 0.00559 0.00279 0.00279 0.00000
|
|
123 7PZ 0.01710 0.00855 0.00855 0.00000
|
|
124 8D 0 0.00040 0.00020 0.00020 0.00000
|
|
125 8D+1 0.00023 0.00011 0.00011 0.00000
|
|
126 8D-1 0.00027 0.00014 0.00014 0.00000
|
|
127 8D+2 0.00005 0.00003 0.00003 0.00000
|
|
128 8D-2 0.00007 0.00003 0.00003 0.00000
|
|
129 9D 0 0.00299 0.00149 0.00149 0.00000
|
|
130 9D+1 0.00129 0.00064 0.00064 0.00000
|
|
131 9D-1 0.00077 0.00038 0.00038 0.00000
|
|
132 9D+2 0.00068 0.00034 0.00034 0.00000
|
|
133 9D-2 0.00008 0.00004 0.00004 0.00000
|
|
134 10F 0 0.00020 0.00010 0.00010 0.00000
|
|
135 10F+1 0.00009 0.00005 0.00005 0.00000
|
|
136 10F-1 0.00009 0.00004 0.00004 0.00000
|
|
137 10F+2 0.00011 0.00005 0.00005 0.00000
|
|
138 10F-2 0.00006 0.00003 0.00003 0.00000
|
|
139 10F+3 0.00001 0.00000 0.00000 0.00000
|
|
140 10F-3 0.00001 0.00000 0.00000 0.00000
|
|
141 4 H 1S 0.06895 0.03447 0.03447 0.00000
|
|
142 2S 0.30448 0.15224 0.15224 0.00000
|
|
143 3S 0.35042 0.17521 0.17521 0.00000
|
|
144 4S 0.03660 0.01830 0.01830 0.00000
|
|
145 5PX 0.00252 0.00126 0.00126 0.00000
|
|
146 5PY 0.00056 0.00028 0.00028 0.00000
|
|
147 5PZ 0.00075 0.00038 0.00038 0.00000
|
|
148 6PX 0.01345 0.00673 0.00673 0.00000
|
|
149 6PY 0.00436 0.00218 0.00218 0.00000
|
|
150 6PZ 0.00521 0.00261 0.00261 0.00000
|
|
151 7PX 0.01539 0.00769 0.00769 0.00000
|
|
152 7PY 0.00461 0.00230 0.00230 0.00000
|
|
153 7PZ 0.01289 0.00644 0.00644 0.00000
|
|
154 8D 0 0.00015 0.00008 0.00008 0.00000
|
|
155 8D+1 0.00024 0.00012 0.00012 0.00000
|
|
156 8D-1 0.00005 0.00002 0.00002 0.00000
|
|
157 8D+2 0.00034 0.00017 0.00017 0.00000
|
|
158 8D-2 0.00026 0.00013 0.00013 0.00000
|
|
159 9D 0 0.00106 0.00053 0.00053 0.00000
|
|
160 9D+1 0.00162 0.00081 0.00081 0.00000
|
|
161 9D-1 0.00006 0.00003 0.00003 0.00000
|
|
162 9D+2 0.00243 0.00122 0.00122 0.00000
|
|
163 9D-2 0.00082 0.00041 0.00041 0.00000
|
|
164 10F 0 0.00004 0.00002 0.00002 0.00000
|
|
165 10F+1 0.00014 0.00007 0.00007 0.00000
|
|
166 10F-1 0.00001 0.00000 0.00000 0.00000
|
|
167 10F+2 0.00008 0.00004 0.00004 0.00000
|
|
168 10F-2 0.00005 0.00002 0.00002 0.00000
|
|
169 10F+3 0.00015 0.00008 0.00008 0.00000
|
|
170 10F-3 0.00009 0.00004 0.00004 0.00000
|
|
171 5 H 1S 0.06895 0.03447 0.03447 0.00000
|
|
172 2S 0.30417 0.15209 0.15209 0.00000
|
|
173 3S 0.36604 0.18302 0.18302 0.00000
|
|
174 4S 0.04159 0.02079 0.02079 0.00000
|
|
175 5PX 0.00074 0.00037 0.00037 0.00000
|
|
176 5PY 0.00072 0.00036 0.00036 0.00000
|
|
177 5PZ 0.00228 0.00114 0.00114 0.00000
|
|
178 6PX 0.00486 0.00243 0.00243 0.00000
|
|
179 6PY 0.00486 0.00243 0.00243 0.00000
|
|
180 6PZ 0.01282 0.00641 0.00641 0.00000
|
|
181 7PX 0.01216 0.00608 0.00608 0.00000
|
|
182 7PY 0.00559 0.00279 0.00279 0.00000
|
|
183 7PZ 0.01710 0.00855 0.00855 0.00000
|
|
184 8D 0 0.00040 0.00020 0.00020 0.00000
|
|
185 8D+1 0.00023 0.00011 0.00011 0.00000
|
|
186 8D-1 0.00027 0.00014 0.00014 0.00000
|
|
187 8D+2 0.00005 0.00003 0.00003 0.00000
|
|
188 8D-2 0.00007 0.00003 0.00003 0.00000
|
|
189 9D 0 0.00299 0.00149 0.00149 0.00000
|
|
190 9D+1 0.00129 0.00064 0.00064 0.00000
|
|
191 9D-1 0.00077 0.00038 0.00038 0.00000
|
|
192 9D+2 0.00068 0.00034 0.00034 0.00000
|
|
193 9D-2 0.00008 0.00004 0.00004 0.00000
|
|
194 10F 0 0.00020 0.00010 0.00010 0.00000
|
|
195 10F+1 0.00009 0.00005 0.00005 0.00000
|
|
196 10F-1 0.00009 0.00004 0.00004 0.00000
|
|
197 10F+2 0.00011 0.00005 0.00005 0.00000
|
|
198 10F-2 0.00006 0.00003 0.00003 0.00000
|
|
199 10F+3 0.00001 0.00000 0.00000 0.00000
|
|
200 10F-3 0.00001 0.00000 0.00000 0.00000
|
|
201 6 H 1S 0.06895 0.03447 0.03447 0.00000
|
|
202 2S 0.30448 0.15224 0.15224 0.00000
|
|
203 3S 0.35042 0.17521 0.17521 0.00000
|
|
204 4S 0.03660 0.01830 0.01830 0.00000
|
|
205 5PX 0.00252 0.00126 0.00126 0.00000
|
|
206 5PY 0.00056 0.00028 0.00028 0.00000
|
|
207 5PZ 0.00075 0.00038 0.00038 0.00000
|
|
208 6PX 0.01345 0.00673 0.00673 0.00000
|
|
209 6PY 0.00436 0.00218 0.00218 0.00000
|
|
210 6PZ 0.00521 0.00261 0.00261 0.00000
|
|
211 7PX 0.01539 0.00769 0.00769 0.00000
|
|
212 7PY 0.00461 0.00230 0.00230 0.00000
|
|
213 7PZ 0.01289 0.00644 0.00644 0.00000
|
|
214 8D 0 0.00015 0.00008 0.00008 0.00000
|
|
215 8D+1 0.00024 0.00012 0.00012 0.00000
|
|
216 8D-1 0.00005 0.00002 0.00002 0.00000
|
|
217 8D+2 0.00034 0.00017 0.00017 0.00000
|
|
218 8D-2 0.00026 0.00013 0.00013 0.00000
|
|
219 9D 0 0.00106 0.00053 0.00053 0.00000
|
|
220 9D+1 0.00162 0.00081 0.00081 0.00000
|
|
221 9D-1 0.00006 0.00003 0.00003 0.00000
|
|
222 9D+2 0.00243 0.00122 0.00122 0.00000
|
|
223 9D-2 0.00082 0.00041 0.00041 0.00000
|
|
224 10F 0 0.00004 0.00002 0.00002 0.00000
|
|
225 10F+1 0.00014 0.00007 0.00007 0.00000
|
|
226 10F-1 0.00001 0.00000 0.00000 0.00000
|
|
227 10F+2 0.00008 0.00004 0.00004 0.00000
|
|
228 10F-2 0.00005 0.00002 0.00002 0.00000
|
|
229 10F+3 0.00015 0.00008 0.00008 0.00000
|
|
230 10F-3 0.00009 0.00004 0.00004 0.00000
|
|
Condensed to atoms (all electrons):
|
|
1 2 3 4 5 6
|
|
1 N 6.351128 0.242842 0.438695 0.410976 -0.075839 -0.044831
|
|
2 N 0.242842 6.351128 -0.075839 -0.044831 0.438695 0.410976
|
|
3 H 0.438695 -0.075839 0.539932 -0.055499 -0.000173 0.002141
|
|
4 H 0.410976 -0.044831 -0.055499 0.510528 0.002141 0.004457
|
|
5 H -0.075839 0.438695 -0.000173 0.002141 0.539932 -0.055499
|
|
6 H -0.044831 0.410976 0.002141 0.004457 -0.055499 0.510528
|
|
Atomic-Atomic Spin Densities.
|
|
1 2 3 4 5 6
|
|
1 N 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
2 N 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
3 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
4 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
|
|
Mulliken charges and spin densities:
|
|
1 2
|
|
1 N -0.322971 0.000000
|
|
2 N -0.322971 0.000000
|
|
3 H 0.150743 0.000000
|
|
4 H 0.172229 0.000000
|
|
5 H 0.150743 0.000000
|
|
6 H 0.172229 0.000000
|
|
Sum of Mulliken charges = 0.00000 0.00000
|
|
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
|
|
1 2
|
|
1 N 0.000000 0.000000
|
|
2 N 0.000000 0.000000
|
|
Electronic spatial extent (au): <R**2>= 82.8726
|
|
Charge= 0.0000 electrons
|
|
Dipole moment (field-independent basis, Debye):
|
|
X= 0.0000 Y= 0.0000 Z= 2.0929 Tot= 2.0929
|
|
Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= -12.1982 YY= -13.0925 ZZ= -12.9922
|
|
XY= -2.6470 XZ= 0.0000 YZ= 0.0000
|
|
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= 0.5628 YY= -0.3315 ZZ= -0.2312
|
|
XY= -2.6470 XZ= 0.0000 YZ= 0.0000
|
|
Octapole moment (field-independent basis, Debye-Ang**2):
|
|
XXX= 0.0000 YYY= 0.0000 ZZZ= 3.1662 XYY= 0.0000
|
|
XXY= 0.0000 XXZ= -0.2781 XZZ= 0.0000 YZZ= 0.0000
|
|
YYZ= 3.5804 XYZ= 2.2539
|
|
Hexadecapole moment (field-independent basis, Debye-Ang**3):
|
|
XXXX= -16.7459 YYYY= -62.8462 ZZZZ= -18.0025 XXXY= -1.1881
|
|
XXXZ= 0.0000 YYYX= -1.4324 YYYZ= 0.0000 ZZZX= 0.0000
|
|
ZZZY= 0.0000 XXYY= -12.4800 XXZZ= -6.2004 YYZZ= -12.9900
|
|
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.7817
|
|
N-N= 4.147300574520D+01 E-N=-3.441533541995D+02 KE= 1.110671082909D+02
|
|
Symmetry A KE= 5.705571500697D+01
|
|
Symmetry B KE= 5.401139328396D+01
|
|
Orbital energies and kinetic energies (alpha):
|
|
1 2
|
|
1 O -15.567934 22.124700
|
|
2 O -15.567478 22.130208
|
|
3 O -1.252247 1.831339
|
|
4 O -1.007957 1.858010
|
|
5 O -0.672824 1.333681
|
|
6 O -0.664646 1.313464
|
|
7 O -0.601973 1.554502
|
|
8 O -0.415516 1.704014
|
|
9 O -0.412144 1.683636
|
|
10 V 0.113952 0.386445
|
|
11 V 0.142653 0.426938
|
|
12 V 0.178109 0.368136
|
|
13 V 0.180874 0.395550
|
|
14 V 0.349851 1.071211
|
|
15 V 0.382989 0.525554
|
|
16 V 0.407965 0.613292
|
|
17 V 0.425004 0.772239
|
|
18 V 0.457800 1.008504
|
|
19 V 0.482620 0.864577
|
|
20 V 0.498133 1.366549
|
|
21 V 0.533513 1.290493
|
|
22 V 0.558339 1.225422
|
|
23 V 0.576414 1.243968
|
|
24 V 0.595572 1.431789
|
|
25 V 0.604831 0.979187
|
|
26 V 0.615849 1.285077
|
|
27 V 0.642412 0.869645
|
|
28 V 0.707409 1.211986
|
|
29 V 0.857235 1.077596
|
|
30 V 0.888661 1.126350
|
|
31 V 0.899540 1.038085
|
|
32 V 0.929857 1.130090
|
|
33 V 1.014670 1.310660
|
|
34 V 1.026575 1.262327
|
|
35 V 1.071285 1.388012
|
|
36 V 1.101688 1.497711
|
|
37 V 1.147176 1.731964
|
|
38 V 1.151787 1.722754
|
|
39 V 1.209587 1.738127
|
|
40 V 1.240248 1.656176
|
|
41 V 1.242599 1.992890
|
|
42 V 1.268637 1.677831
|
|
43 V 1.280814 1.690057
|
|
44 V 1.346243 1.872684
|
|
45 V 1.375167 2.119436
|
|
46 V 1.413574 1.672176
|
|
47 V 1.508236 1.886088
|
|
48 V 1.562334 2.009100
|
|
49 V 1.606258 2.532574
|
|
50 V 1.663099 2.278656
|
|
51 V 1.773163 2.367299
|
|
52 V 1.961900 2.615086
|
|
53 V 2.033322 2.750777
|
|
54 V 2.167489 2.649382
|
|
55 V 2.171241 2.641732
|
|
56 V 2.247137 2.573465
|
|
57 V 2.303822 2.660349
|
|
58 V 2.336322 2.741514
|
|
59 V 2.343729 2.868748
|
|
60 V 2.350568 2.796947
|
|
61 V 2.415760 3.099758
|
|
62 V 2.440289 3.110443
|
|
63 V 2.452547 2.931006
|
|
64 V 2.469348 2.756916
|
|
65 V 2.490337 2.877337
|
|
66 V 2.515916 3.092418
|
|
67 V 2.538369 3.013014
|
|
68 V 2.573711 3.270746
|
|
69 V 2.579624 3.289939
|
|
70 V 2.586446 3.151609
|
|
71 V 2.602574 3.151464
|
|
72 V 2.627236 3.309580
|
|
73 V 2.647834 3.663791
|
|
74 V 2.739407 3.126471
|
|
75 V 2.765791 3.376351
|
|
76 V 2.797020 3.774464
|
|
77 V 2.810689 3.508724
|
|
78 V 2.818141 3.636988
|
|
79 V 2.855511 3.461932
|
|
80 V 2.886213 3.455186
|
|
81 V 2.949336 3.463752
|
|
82 V 2.977519 3.416192
|
|
83 V 3.035472 3.679143
|
|
84 V 3.040811 3.812376
|
|
85 V 3.087694 3.640595
|
|
86 V 3.112257 3.520351
|
|
87 V 3.144423 3.587215
|
|
88 V 3.183029 4.244259
|
|
89 V 3.279170 3.887309
|
|
90 V 3.314193 3.648246
|
|
91 V 3.340496 3.869311
|
|
92 V 3.364957 4.098982
|
|
93 V 3.581445 4.088861
|
|
94 V 3.646536 4.309700
|
|
95 V 3.713890 4.326502
|
|
96 V 3.720055 4.481387
|
|
97 V 3.872841 4.729325
|
|
98 V 3.884767 4.464192
|
|
99 V 3.951169 4.718072
|
|
100 V 3.963362 4.771408
|
|
101 V 3.977884 5.061218
|
|
102 V 4.119159 5.071627
|
|
103 V 4.120607 4.746940
|
|
104 V 4.209263 4.744046
|
|
105 V 4.237833 5.144987
|
|
106 V 4.323903 4.920379
|
|
107 V 4.364376 5.128953
|
|
108 V 4.388759 5.638433
|
|
109 V 4.388899 5.010799
|
|
110 V 4.465643 5.213604
|
|
111 V 4.674694 5.300911
|
|
112 V 4.692927 5.772247
|
|
113 V 4.739924 5.846882
|
|
114 V 4.895390 5.983717
|
|
115 V 4.904607 5.967793
|
|
116 V 5.493667 7.217626
|
|
117 V 6.035649 6.682630
|
|
118 V 6.064495 6.472470
|
|
119 V 6.079063 6.495489
|
|
120 V 6.208315 6.686329
|
|
121 V 6.226566 6.583575
|
|
122 V 6.250222 6.656163
|
|
123 V 6.273955 6.577155
|
|
124 V 6.289740 6.639159
|
|
125 V 6.381524 6.876501
|
|
126 V 6.401251 6.812945
|
|
127 V 6.496808 6.949387
|
|
128 V 6.639737 7.198968
|
|
129 V 6.795251 7.438982
|
|
130 V 6.858904 7.682422
|
|
131 V 6.927571 7.780963
|
|
132 V 6.965367 8.518141
|
|
133 V 7.059105 8.338738
|
|
134 V 7.102340 8.118723
|
|
135 V 7.151946 8.499817
|
|
136 V 7.222893 8.075095
|
|
137 V 7.253156 8.051252
|
|
138 V 7.291690 8.026656
|
|
139 V 7.365217 8.007744
|
|
140 V 7.412529 8.637543
|
|
141 V 7.424755 8.728119
|
|
142 V 7.443210 8.416200
|
|
143 V 7.518627 8.424934
|
|
144 V 7.536982 8.617772
|
|
145 V 7.584339 8.304963
|
|
146 V 7.657887 8.382667
|
|
147 V 7.720213 8.453616
|
|
148 V 7.816848 8.731360
|
|
149 V 7.846728 9.058644
|
|
150 V 7.870407 8.951038
|
|
151 V 7.908458 9.469378
|
|
152 V 7.943415 9.075163
|
|
153 V 7.974804 9.350920
|
|
154 V 8.006710 8.904734
|
|
155 V 8.084514 8.726982
|
|
156 V 8.084582 9.290320
|
|
157 V 8.116423 9.929541
|
|
158 V 8.159277 9.006083
|
|
159 V 8.185229 9.937844
|
|
160 V 8.260802 9.066441
|
|
161 V 8.264737 9.229827
|
|
162 V 8.297607 9.377618
|
|
163 V 8.322714 9.121050
|
|
164 V 8.338901 9.501082
|
|
165 V 8.355726 9.331054
|
|
166 V 8.411588 9.507780
|
|
167 V 8.433663 9.705592
|
|
168 V 8.475980 9.360700
|
|
169 V 8.542938 9.382363
|
|
170 V 8.547807 9.846968
|
|
171 V 8.598641 9.654628
|
|
172 V 8.619817 9.656748
|
|
173 V 8.643554 9.667204
|
|
174 V 8.659106 9.700065
|
|
175 V 8.673488 9.803224
|
|
176 V 8.703504 9.908504
|
|
177 V 8.776484 10.839394
|
|
178 V 8.808298 9.961182
|
|
179 V 8.824673 9.937014
|
|
180 V 8.875418 10.205339
|
|
181 V 8.909578 11.284003
|
|
182 V 8.917321 10.290647
|
|
183 V 8.981288 11.420040
|
|
184 V 9.013951 10.837869
|
|
185 V 9.143428 10.670185
|
|
186 V 9.180349 10.683841
|
|
187 V 9.220706 10.510618
|
|
188 V 9.257989 10.819036
|
|
189 V 9.313385 11.379283
|
|
190 V 9.356029 10.950858
|
|
191 V 9.560081 11.292771
|
|
192 V 9.579080 11.177167
|
|
193 V 9.614150 11.401404
|
|
194 V 9.653479 11.789108
|
|
195 V 9.654295 11.693495
|
|
196 V 9.763983 11.389770
|
|
197 V 9.782132 11.267801
|
|
198 V 9.946200 12.047799
|
|
199 V 9.984919 11.549242
|
|
200 V 10.022174 11.619822
|
|
201 V 10.151664 12.208424
|
|
202 V 10.232708 11.676953
|
|
203 V 10.308410 12.221851
|
|
204 V 10.372630 12.163804
|
|
205 V 10.401039 12.278411
|
|
206 V 10.469567 12.558926
|
|
207 V 10.514698 12.527779
|
|
208 V 10.564791 12.144602
|
|
209 V 11.074074 14.393641
|
|
210 V 11.152023 13.071688
|
|
211 V 11.198177 13.021033
|
|
212 V 11.610224 14.397880
|
|
213 V 11.800520 14.241736
|
|
214 V 11.924076 13.776509
|
|
215 V 11.986733 13.516095
|
|
216 V 12.044831 14.114358
|
|
217 V 12.090566 14.685277
|
|
218 V 12.102177 13.924318
|
|
219 V 12.142778 13.650505
|
|
220 V 12.221005 13.753071
|
|
221 V 12.264433 13.667508
|
|
222 V 12.617623 14.938074
|
|
223 V 12.653999 15.087047
|
|
224 V 12.895134 15.649963
|
|
225 V 13.923355 17.578037
|
|
226 V 14.018504 17.438497
|
|
227 V 14.557727 18.931257
|
|
228 V 14.591934 18.978295
|
|
229 V 34.153575 78.360349
|
|
230 V 35.125042 79.886922
|
|
Total kinetic energy from orbitals= 1.110671082909D+02
|
|
Isotropic Fermi Contact Couplings
|
|
Atom a.u. MegaHertz Gauss 10(-4) cm-1
|
|
1 N(14) 0.00000 0.00000 0.00000 0.00000
|
|
2 N(14) 0.00000 0.00000 0.00000 0.00000
|
|
3 H(1) 0.00000 0.00000 0.00000 0.00000
|
|
4 H(1) 0.00000 0.00000 0.00000 0.00000
|
|
5 H(1) 0.00000 0.00000 0.00000 0.00000
|
|
6 H(1) 0.00000 0.00000 0.00000 0.00000
|
|
--------------------------------------------------------
|
|
Center ---- Spin Dipole Couplings ----
|
|
3XX-RR 3YY-RR 3ZZ-RR
|
|
--------------------------------------------------------
|
|
1 Atom 0.000000 0.000000 0.000000
|
|
2 Atom 0.000000 0.000000 0.000000
|
|
3 Atom 0.000000 0.000000 0.000000
|
|
4 Atom 0.000000 0.000000 0.000000
|
|
5 Atom 0.000000 0.000000 0.000000
|
|
6 Atom 0.000000 0.000000 0.000000
|
|
--------------------------------------------------------
|
|
XY XZ YZ
|
|
--------------------------------------------------------
|
|
1 Atom 0.000000 0.000000 0.000000
|
|
2 Atom 0.000000 0.000000 0.000000
|
|
3 Atom 0.000000 0.000000 0.000000
|
|
4 Atom 0.000000 0.000000 0.000000
|
|
5 Atom 0.000000 0.000000 0.000000
|
|
6 Atom 0.000000 0.000000 0.000000
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--------------------------------------------------------
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---------------------------------------------------------------------------------
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Anisotropic Spin Dipole Couplings in Principal Axis System
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---------------------------------------------------------------------------------
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Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes
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Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
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1 N(14) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
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|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
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|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
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2 N(14) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
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Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
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Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
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3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
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|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
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|
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|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
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|
4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
|
|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
|
|
|
|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
|
|
5 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
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|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
|
|
|
|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
|
|
6 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
|
|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
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---------------------------------------------------------------------------------
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No NMR shielding tensors so no spin-rotation constants.
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Leave Link 601 at Sat Mar 30 14:30:28 2019, MaxMem= 33554432 cpu: 0.5
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
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1\1\GINC-COMPUTE-7-0\SP\ROCCSD(T)-FC\CC-pVQZ\H4N2\LOOS\30-Mar-2019\0\\
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#p ROCCSD(T) cc-pVQZ pop=full gfprint\\G2\\0,1\N\N,1,1.43687706\H,1,1.
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01893091,2,111.61361711\H,1,1.01495037,2,106.79854321,3,106.64730213,1
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\H,2,1.01893091,1,111.61361711,3,27.6651151,0\H,2,1.01495037,1,106.798
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54321,5,106.64730213,1\\Version=ES64L-G09RevD.01\State=1-A\HF=-111.232
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8361\MP2=-111.7042089\MP3=-111.716119\PUHF=-111.2328361\PMP2-0=-111.70
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42089\MP4SDQ=-111.7177057\CCSD=-111.7173165\CCSD(T)=-111.7358597\RMSD=
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5.121e-09\PG=C02 [X(H4N2)]\\@
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SCIENCE IS LONG AND LIFE IS SHORT.
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DON MOSER IN THE FEBRUARY 1979 SMITHSONIAN
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Job cpu time: 0 days 0 hours 45 minutes 4.5 seconds.
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File lengths (MBytes): RWF= 3241 Int= 0 D2E= 0 Chk= 5 Scr= 1
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Normal termination of Gaussian 09 at Sat Mar 30 14:30:28 2019.
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